ChemSpider 2D Image | 1-[11-(3-Bromophenyl)-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-1-hexanone | C32H33BrN2O2

1-[11-(3-Bromophenyl)-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-1-hexanone

  • Molecular FormulaC32H33BrN2O2
  • Average mass557.521 Da
  • Monoisotopic mass556.172546 Da
  • ChemSpider ID12267639

More details:

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

1-[11-(3-Bromophenyl)-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-1-hexanone [ACD/IUPAC Name]
1-[11-(3-Bromophényl)-1-hydroxy-3-(4-méthylphényl)-2,3,4,11-tétrahydro-10H-dibenzo[b,e][1,4]diazépin-10-yl]-1-hexanone [French] [ACD/IUPAC Name]
1-[11-(3-Bromphenyl)-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-1-hexanon [German] [ACD/IUPAC Name]
1-Hexanone, 1-[11-(3-bromophenyl)-2,3,4,11-tetrahydro-1-hydroxy-3-(4-methylphenyl)-10H-dibenzo[b,e][1,4]diazepin-10-yl]- [ACD/Index Name]
1-(11-(3-bromophenyl)-1-hydroxy-3-(p-tolyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)hexan-1-one
1-[11-(3-bromophenyl)-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one
1-[11-(3-Bromo-phenyl)-1-hydroxy-3-p-tolyl-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazepin-10-yl]-hexan-1-one
11-(3-bromophenyl)-10-hexanoyl-3-(4-methylphenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
2H-dibenzo[b,e][1,4]diazepin-1-ol, 11-(3-bromophenyl)-3,4,10,11-tetrahydro-3-(4-methylphenyl)-10-(1-oxohexyl)-
714927-73-8 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 708.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 108.7±3.0 kJ/mol
    Flash Point: 382.0±32.9 °C
    Index of Refraction: 1.640
    Molar Refractivity: 153.2±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 8.70
    ACD/LogD (pH 5.5): 8.00
    ACD/BCF (pH 5.5): 704697.00
    ACD/KOC (pH 5.5): 532896.19
    ACD/LogD (pH 7.4): 8.00
    ACD/BCF (pH 7.4): 700375.88
    ACD/KOC (pH 7.4): 529628.50
    Polar Surface Area: 53 Å2
    Polarizability: 60.7±0.5 10-24cm3
    Surface Tension: 46.3±7.0 dyne/cm
    Molar Volume: 425.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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