ChemSpider 2D Image | 10-Hexanoyl-3,3-dimethyl-11-[5-(2-nitrophenyl)-2-furyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | C31H33N3O5

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

  • Molecular FormulaC31H33N3O5
  • Average mass527.611 Da
  • Monoisotopic mass527.242004 Da
  • ChemSpider ID2870592

More details:

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

10-Hexanoyl-3,3-dimethyl-11-[5-(2-nitrophenyl)-2-furyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-on [German] [ACD/IUPAC Name]
10-Hexanoyl-3,3-dimethyl-11-[5-(2-nitrophenyl)-2-furyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one [ACD/IUPAC Name]
10-Hexanoyl-3,3-diméthyl-11-[5-(2-nitrophényl)-2-furyl]-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-3,3-dimethyl-11-[5-(2-nitrophenyl)-2-furanyl]-10-(1-oxohexyl)- [ACD/Index Name]
10-hexanoyl-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-Hexanoyl-3,3-dimethyl-11-[5-(2-nitro-phenyl)-furan-2-yl]-2,3,4,5,10,11-hexahydro-dibenzo[b,e][1,4]diazepin-1-one
406914-50-9 [RN]
5-hexanoyl-9,9-dimethyl-6-[5-(2-nitrophenyl)furan-2-yl]-6,8,10,11-tetrahydrobenzo[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: 719.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.2±3.0 kJ/mol
    Flash Point: 389.1±32.9 °C
    Index of Refraction: 1.639
    Molar Refractivity: 147.3±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 6.47
    ACD/LogD (pH 5.5): 6.34
    ACD/BCF (pH 5.5): 38854.11
    ACD/KOC (pH 5.5): 67095.38
    ACD/LogD (pH 7.4): 6.34
    ACD/BCF (pH 7.4): 38857.10
    ACD/KOC (pH 7.4): 67100.53
    Polar Surface Area: 108 Å2
    Polarizability: 58.4±0.5 10-24cm3
    Surface Tension: 60.4±5.0 dyne/cm
    Molar Volume: 409.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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