Found 3124 results

Search term: MF = 'C_{26}H_{26}N_{4}O_{4}S'
ChemSpider 2D Image | N-(4-Ethoxyphenyl)-2-[1-(4-methoxyphenyl)-5-oxo-3-(2-pyridinylmethyl)-2-thioxo-4-imidazolidinyl]acetamide | C26H26N4O4S

N-(4-Ethoxyphenyl)-2-[1-(4-methoxyphenyl)-5-oxo-3-(2-pyridinylmethyl)-2-thioxo-4-imidazolidinyl]acetamide

  • Molecular FormulaC26H26N4O4S
  • Average mass490.574 Da
  • Monoisotopic mass490.167480 Da
  • ChemSpider ID4100579

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Imidazolidineacetamide, N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-5-oxo-3-(2-pyridinylmethyl)-2-thioxo- [ACD/Index Name]
N-(4-Ethoxyphenyl)-2-[1-(4-methoxyphenyl)-5-oxo-3-(2-pyridinylmethyl)-2-thioxo-4-imidazolidinyl]acetamid [German] [ACD/IUPAC Name]
N-(4-Ethoxyphenyl)-2-[1-(4-methoxyphenyl)-5-oxo-3-(2-pyridinylmethyl)-2-thioxo-4-imidazolidinyl]acetamide [ACD/IUPAC Name]
N-(4-Éthoxyphényl)-2-[1-(4-méthoxyphényl)-5-oxo-3-(2-pyridinylméthyl)-2-thioxo-4-imidazolidinyl]acétamide [French] [ACD/IUPAC Name]
N-(4-ethoxyphenyl)-2-[1-(4-methoxyphenyl)-5-oxo-3-(2-pyridylmethyl)-2-thioxo(1,3-diazolidin-4-yl)]acetamide
N-(4-ETHOXYPHENYL)-2-[1-(4-METHOXYPHENYL)-5-OXO-3-(PYRIDIN-2-YLMETHYL)-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL]ACETAMIDE
N-(4-ethoxyphenyl)-2-[1-(4-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-thioxoimidazolidin-4-yl]acetamide
N-(4-ETHOXYPHENYL)-2-[1-(4-METHOXYPHENYL)-5-OXO-3-[(PYRIDIN-2-YL)METHYL]-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL]ACETAMIDE

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A3573/0151650 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.676
Molar Refractivity: 135.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 71.69
ACD/KOC (pH 5.5): 736.75
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.10
ACD/KOC (pH 7.4): 751.23
Polar Surface Area: 116 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 71.9±5.0 dyne/cm
Molar Volume: 360.9±5.0 cm3

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.26

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  747.43  (Adapted Stein & Brown method)
    Melting Pt (deg C):  328.18  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.28E-018  (Modified Grain method)
    Subcooled liquid VP: 8.82E-015 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  26.96
       log Kow used: 3.26 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.026987 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.29E-018  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.853E-020 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.26  (KowWin est)
  Log Kaw used:  -15.526  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  18.786
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.2537
   Biowin2 (Non-Linear Model)     :   0.9991
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.6220  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.8917  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1445
   Biowin6 (MITI Non-Linear Model):   0.0089
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.0907
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.18E-012 Pa (8.82E-015 mm Hg)
  Log Koa (Koawin est  ): 18.786
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.55E+006 
       Octanol/air (Koa) model:  1.5E+006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 141.6135 E-12 cm3/molecule-sec
      Half-Life =     0.076 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.906 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  4.222E+004
      Log Koc:  4.625 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.811 (BCF = 64.68)
       log Kow used: 3.26 (estimated)

 Volatilization from Water:
    Henry LC:  7.29E-018 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.779E+014  hours   (7.412E+012 days)
    Half-Life from Model Lake : 1.941E+015  hours   (8.086E+013 days)

 Removal In Wastewater Treatment:
    Total removal:               8.62  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:     8.47  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.00319         1.81         1000       
   Water     5.96            4.32e+003    1000       
   Soil      93.7            8.64e+003    1000       
   Sediment  0.334           3.89e+004    0          
     Persistence Time: 6.37e+003 hr

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