ChemSpider 2D Image | 11-(4-Hydroxy-3-methoxy-5-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | C29H29N3O8

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

  • Molecular FormulaC29H29N3O8
  • Average mass547.556 Da
  • Monoisotopic mass547.195435 Da
  • ChemSpider ID2608100

More details:

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

11-(4-Hydroxy-3-methoxy-5-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-on [German] [ACD/IUPAC Name]
11-(4-Hydroxy-3-methoxy-5-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one [ACD/IUPAC Name]
11-(4-Hydroxy-3-méthoxy-5-nitrophényl)-3-(3,4,5-triméthoxyphényl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazépin-1-one [French] [ACD/IUPAC Name]
1H-Dibenzo[b,e][1,4]diazepin-1-one, 2,3,4,5,10,11-hexahydro-11-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
11-(4-Hydroxy-3-methoxy-5-nitro-phenyl)-3-(3,4,5-trimethoxy-phenyl)-2,3,4,5,10,11-hexahydro-dibenzo[b,e][1,4]diazepin-1-one
11-(4-hydroxy-5-methoxy-3-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4-trihydro-5H,10H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one
524002-89-9 [RN]
6-(4-hydroxy-3-methoxy-5-nitrophenyl)-9-(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

A3194/0135334 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 704.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 106.8±3.0 kJ/mol
    Flash Point: 379.8±32.9 °C
    Index of Refraction: 1.670
    Molar Refractivity: 144.3±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 2.98
    ACD/LogD (pH 5.5): 3.62
    ACD/BCF (pH 5.5): 322.56
    ACD/KOC (pH 5.5): 2119.29
    ACD/LogD (pH 7.4): 2.79
    ACD/BCF (pH 7.4): 48.39
    ACD/KOC (pH 7.4): 317.92
    Polar Surface Area: 144 Å2
    Polarizability: 57.2±0.5 10-24cm3
    Surface Tension: 69.5±5.0 dyne/cm
    Molar Volume: 386.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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