N-{4-[(6-Methyl-4-oxo-1,4-dihydro-2-pyrimidinyl)sulfamoyl]phenyl}acetamide
Cc1cc(=O)nc([nH]1)NS(=O)(=O)c2ccc(cc2)NC(=O)C
InChI=1S/C13H14N4O4S/c1-8-7-12(19)16-13(14-8)17-22(20,21)11-5-3-10(4-6-11)15-9(2)18/h3-7H,1-2H3,(H,15,18)(H2,14,16,17,19)
KGNVJSUKFQQWNI-UHFFFAOYSA-N
CSID:128994, http://www.chemspider.com/Chemical-Structure.128994.html (accessed 17:10, Apr 19, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -1.35 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 647.63 (Adapted Stein & Brown method) Melting Pt (deg C): 281.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.01E-015 (Modified Grain method) Subcooled liquid VP: 4.13E-012 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): 6375 log Kow used: -1.35 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.3319e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.12E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.998E-019 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.35 (KowWin est) Log Kaw used: -15.062 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.712 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8042 Biowin2 (Non-Linear Model) : 0.7545 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4326 (weeks-months) Biowin4 (Primary Survey Model) : 3.5881 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0803 Biowin6 (MITI Non-Linear Model): 0.0047 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3462 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): 5.51E-010 Pa (4.13E-012 mm Hg) Log Koa (Koawin est ): 13.712 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.45E+003 Octanol/air (Koa) model: 12.6 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 84.1416 E-12 cm3/molecule-sec Half-Life = 0.127 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.525 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec Half-Life = 1.007 Days (at 7E11 mol/cm3) Half-Life = 24.179 Hrs 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 : 1650 Log Koc: 3.217 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 = 0.500 (BCF = 3.162) log Kow used: -1.35 (estimated) Volatilization from Water: Henry LC: 2.12E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.958E+013 hours (2.066E+012 days) Half-Life from Model Lake : 5.409E+014 hours (2.254E+013 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 0.000129 2.71 1000 Water 46.4 900 1000 Soil 53.5 1.8e+003 1000 Sediment 0.0891 8.1e+003 0 Persistence Time: 973 hr
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