ChemSpider 2D Image | 10-Hexanoyl-11-(3-nitrophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | C31H31N3O4

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

  • Molecular FormulaC31H31N3O4
  • Average mass509.595 Da
  • Monoisotopic mass509.231445 Da
  • ChemSpider ID4284799

More details:

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

10-Hexanoyl-11-(3-nitrophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-on [German] [ACD/IUPAC Name]
10-Hexanoyl-11-(3-nitrophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one [ACD/IUPAC Name]
10-Hexanoyl-11-(3-nitrophényl)-3-phényl-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-(3-nitrophenyl)-10-(1-oxohexyl)-3-phenyl- [ACD/Index Name]
10-Hexanoyl-11-(3-nitro-phenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-dibenzo[b,e][1,4]diazepin-1-one
438476-30-3 [RN]
5-hexanoyl-6-(3-nitrophenyl)-9-phenyl-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: 1.3±0.1 g/cm3
    Boiling Point: 721.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.4±3.0 kJ/mol
    Flash Point: 390.4±32.9 °C
    Index of Refraction: 1.657
    Molar Refractivity: 145.5±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 6.33
    ACD/LogD (pH 5.5): 6.75
    ACD/BCF (pH 5.5): 79647.77
    ACD/KOC (pH 5.5): 112159.16
    ACD/LogD (pH 7.4): 6.75
    ACD/BCF (pH 7.4): 79651.27
    ACD/KOC (pH 7.4): 112164.08
    Polar Surface Area: 95 Å2
    Polarizability: 57.7±0.5 10-24cm3
    Surface Tension: 62.0±5.0 dyne/cm
    Molar Volume: 395.4±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement