ChemSpider 2D Image | (6Z)-6-{3-Ethoxy-4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]benzylidene}-5-imino-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C33H34N4O4S

(6Z)-6-{3-Ethoxy-4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]benzylidene}-5-imino-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

  • Molecular FormulaC33H34N4O4S
  • Average mass582.713 Da
  • Monoisotopic mass582.230103 Da
  • ChemSpider ID18330400

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z)-6-{3-Ethoxy-4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]benzyliden}-5-imino-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6Z)-6-{3-Ethoxy-4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]benzylidene}-5-imino-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6Z)-6-{3-Éthoxy-4-[2-(2-isopropyl-5-méthylphénoxy)éthoxy]benzylidène}-5-imino-2-(4-méthylphényl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [French] [ACD/IUPAC Name]
7H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-ethoxy-4-[2-[5-methyl-2-(1-methylethyl)phenoxy]ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(4-methylphenyl)-, (6Z)- [ACD/Index Name]
(6Z)-6-(3-ethoxy-4-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}benzylidene)-5-imino-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
(6Z)-6-[[3-ethoxy-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
404894-26-4 [RN]
AC1NZW4P
AKOS005386211
MolPort-002-822-776
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AM-900/40674266 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 711.3±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.0±3.0 kJ/mol
    Flash Point: 384.0±35.7 °C
    Index of Refraction: 1.633
    Molar Refractivity: 165.8±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 6.89
    ACD/LogD (pH 5.5): 6.35
    ACD/BCF (pH 5.5): 39270.26
    ACD/KOC (pH 5.5): 67610.44
    ACD/LogD (pH 7.4): 6.35
    ACD/BCF (pH 7.4): 39270.26
    ACD/KOC (pH 7.4): 67610.44
    Polar Surface Area: 122 Å2
    Polarizability: 65.7±0.5 10-24cm3
    Surface Tension: 46.2±7.0 dyne/cm
    Molar Volume: 464.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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