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

2-{1-[11-(4-Chlorophenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-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 ID21347660

More details:

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

1H-Indene-1,3(2H)-dione, 2-[1-[11-(4-chlorophenyl)-2,3,4,11-tetrahydro-1-hydroxy-3,3-dimethyl-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethylidene]- [ACD/Index Name]
2-{1-[11-(4-Chlorophenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethylidene}-1H-indene-1,3(2H)-dione [ACD/IUPAC Name]
2-{1-[11-(4-Chlorophényl)-1-hydroxy-3,3-diméthyl-2,3,4,11-tétrahydro-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)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethyliden}-1H-inden-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-(1-(11-(4-chlorophenyl)-1-hydroxy-3,3-dimethyl-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)ethylidene)-1H-indene-1,3(2H)-dione

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 663.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 102.6±3.0 kJ/mol
    Flash Point: 355.3±31.5 °C
    Index of Refraction: 1.677
    Molar Refractivity: 148.9±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 2
    ACD/LogP: 7.50
    ACD/LogD (pH 5.5): 6.55
    ACD/BCF (pH 5.5): 55728.46
    ACD/KOC (pH 5.5): 86488.68
    ACD/LogD (pH 7.4): 6.55
    ACD/BCF (pH 7.4): 55983.64
    ACD/KOC (pH 7.4): 86884.72
    Polar Surface Area: 70 Å2
    Polarizability: 59.0±0.5 10-24cm3
    Surface Tension: 50.4±7.0 dyne/cm
    Molar Volume: 395.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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