ChemSpider 2D Image | 1-[3-(3,4-Dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-1-propanone | C31H32N2O5

1-[3-(3,4-Dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-1-propanone

  • Molecular FormulaC31H32N2O5
  • Average mass512.596 Da
  • Monoisotopic mass512.231140 Da
  • ChemSpider ID12267712

More details:

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

1-[3-(3,4-Dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-1-propanon [German] [ACD/IUPAC Name]
1-[3-(3,4-Dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-1-propanone [ACD/IUPAC Name]
1-[3-(3,4-Diméthoxyphényl)-1-hydroxy-11-(4-méthoxyphényl)-2,3,4,11-tétrahydro-10H-dibenzo[b,e][1,4]diazépin-10-yl]-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[3-(3,4-dimethoxyphenyl)-2,3,4,11-tetrahydro-1-hydroxy-11-(4-methoxyphenyl)-10H-dibenzo[b,e][1,4]diazepin-10-yl]- [ACD/Index Name]
1-(3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)propan-1-one
1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]propan-1-one
1-[3-(3,4-Dimethoxy-phenyl)-1-hydroxy-11-(4-methoxy-phenyl)-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazepin-10-yl]-propan-1-one
673441-11-7 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 709.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 108.9±3.0 kJ/mol
    Flash Point: 382.8±32.9 °C
    Index of Refraction: 1.616
    Molar Refractivity: 144.8±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 5.52
    ACD/LogD (pH 5.5): 5.07
    ACD/BCF (pH 5.5): 4192.35
    ACD/KOC (pH 5.5): 13603.73
    ACD/LogD (pH 7.4): 5.07
    ACD/BCF (pH 7.4): 4160.46
    ACD/KOC (pH 7.4): 13500.23
    Polar Surface Area: 81 Å2
    Polarizability: 57.4±0.5 10-24cm3
    Surface Tension: 44.4±7.0 dyne/cm
    Molar Volume: 414.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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