ChemSpider 2D Image | 3-(3,4-Dimethoxyphenyl)-10-hexanoyl-11-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | C34H38N2O4

3-(3,4-Dimethoxyphenyl)-10-hexanoyl-11-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

  • Molecular FormulaC34H38N2O4
  • Average mass538.677 Da
  • Monoisotopic mass538.283142 Da
  • ChemSpider ID2656164

More details:

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

1H-Dibenzo[b,e][1,4]diazepin-1-one, 3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-11-(4-methylphenyl)-10-(1-oxohexyl)- [ACD/Index Name]
3-(3,4-Dimethoxyphenyl)-10-hexanoyl-11-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-on [German] [ACD/IUPAC Name]
3-(3,4-Dimethoxyphenyl)-10-hexanoyl-11-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one [ACD/IUPAC Name]
3-(3,4-Diméthoxyphényl)-10-hexanoyl-11-(4-méthylphényl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazépin-1-one [French] [ACD/IUPAC Name]
3-(3,4-dimethoxyphenyl)-10-hexanoyl-11-(4-methylphenyl)-2,3,4-trihydro-5H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one
488086-79-9 [RN]
9-(3,4-dimethoxyphenyl)-5-hexanoyl-6-(4-methylphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 726.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 106.0±3.0 kJ/mol
    Flash Point: 393.0±32.9 °C
    Index of Refraction: 1.625
    Molar Refractivity: 156.8±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 6.80
    ACD/LogD (pH 5.5): 6.94
    ACD/BCF (pH 5.5): 111231.90
    ACD/KOC (pH 5.5): 142447.89
    ACD/LogD (pH 7.4): 6.94
    ACD/BCF (pH 7.4): 111243.87
    ACD/KOC (pH 7.4): 142463.22
    Polar Surface Area: 68 Å2
    Polarizability: 62.2±0.5 10-24cm3
    Surface Tension: 55.1±5.0 dyne/cm
    Molar Volume: 443.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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