ChemSpider 2D Image | 2-{1-[11-(4-Chlorophenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethylidene}-1H-indene-1,3(2H)-dione | C32H27ClN2O3

2-{1-[11-(4-Chlorophenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethylidene}-1H-indene-1,3(2H)-dione

  • Molecular FormulaC32H27ClN2O3
  • Average mass523.021 Da
  • Monoisotopic mass522.171021 Da
  • ChemSpider ID2912998

More details:

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

1H-Indene-1,3(2H)-dione, 2-[1-[11-(4-chlorophenyl)-1,2,3,4,5,11-hexahydro-3,3-dimethyl-1-oxo-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethylidene]- [ACD/Index Name]
2-{1-[11-(4-Chlorophenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethylidene}-1H-indene-1,3(2H)-dione [ACD/IUPAC Name]
2-{1-[11-(4-Chlorophényl)-3,3-diméthyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazépin-10-yl]éthylidène}-1H-indène-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-{1-[11-(4-Chlorphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethyliden}-1H-inden-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[1-[6-(4-chlorophenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]ethylidene]indene-1,3-dione
2-{[11-(4-chlorophenyl)-3,3-dimethyl-1-oxo-2,3,4-trihydro-5H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-10-yl]ethylidene}cyclopenta[1,2-a]benzene-1,3-dione
2-{1-[11-(4-Chloro-phenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-dibenzo[b,e][1,4]diazepin-10-yl]-ethylidene}-indan-1,3-dione
354997-66-3 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 672.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 98.8±3.0 kJ/mol
    Flash Point: 360.7±31.5 °C
    Index of Refraction: 1.693
    Molar Refractivity: 146.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 2
    ACD/LogP: 6.64
    ACD/LogD (pH 5.5): 6.14
    ACD/BCF (pH 5.5): 27358.14
    ACD/KOC (pH 5.5): 52196.50
    ACD/LogD (pH 7.4): 6.14
    ACD/BCF (pH 7.4): 27360.33
    ACD/KOC (pH 7.4): 52200.68
    Polar Surface Area: 66 Å2
    Polarizability: 58.1±0.5 10-24cm3
    Surface Tension: 64.5±5.0 dyne/cm
    Molar Volume: 381.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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