ChemSpider 2D Image | 3-(3,4-Dimethoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | C30H32N2O6

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

  • Molecular FormulaC30H32N2O6
  • Average mass516.585 Da
  • Monoisotopic mass516.226013 Da
  • ChemSpider ID2391311

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-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
3-(3,4-Dimethoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-on [German] [ACD/IUPAC Name]
3-(3,4-Dimethoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one [ACD/IUPAC Name]
3-(3,4-Diméthoxyphényl)-11-(3,4,5-triméthoxyphényl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazépin-1-one [French] [ACD/IUPAC Name]
297159-30-9 [RN]
3-(3,4-Dimethoxy-phenyl)-11-(3,4,5-trimethoxy-phenyl)-2,3,4,5,10,11-hexahydro-dibenzo[b,e][1,4]diazepin-1-one
3-(3,4-dimethoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4-trihydro-5H,10H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one
9-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

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

A2387/0101002 [DBID]
BAS 02170406 [DBID]
ChemDiv1_006044 [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: 669.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.4±3.0 kJ/mol
    Flash Point: 358.6±31.5 °C
    Index of Refraction: 1.634
    Molar Refractivity: 143.2±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 3.22
    ACD/LogD (pH 5.5): 3.67
    ACD/BCF (pH 5.5): 361.48
    ACD/KOC (pH 5.5): 2331.04
    ACD/LogD (pH 7.4): 3.69
    ACD/BCF (pH 7.4): 376.64
    ACD/KOC (pH 7.4): 2428.75
    Polar Surface Area: 87 Å2
    Polarizability: 56.8±0.5 10-24cm3
    Surface Tension: 57.4±5.0 dyne/cm
    Molar Volume: 400.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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