ChemSpider 2D Image | 1-[3-(3,4-Dimethoxyphenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-1-hexanone | C34H38N2O4

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

  • Molecular FormulaC34H38N2O4
  • Average mass538.677 Da
  • Monoisotopic mass538.283142 Da
  • ChemSpider ID12267641

More details:

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

1-[3-(3,4-Dimethoxyphenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-1-hexanon [German] [ACD/IUPAC Name]
1-[3-(3,4-Dimethoxyphenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-1-hexanone [ACD/IUPAC Name]
1-[3-(3,4-Diméthoxyphényl)-1-hydroxy-11-(4-méthylphényl)-2,3,4,11-tétrahydro-10H-dibenzo[b,e][1,4]diazépin-10-yl]-1-hexanone [French] [ACD/IUPAC Name]
1-Hexanone, 1-[3-(3,4-dimethoxyphenyl)-2,3,4,11-tetrahydro-1-hydroxy-11-(4-methylphenyl)-10H-dibenzo[b,e][1,4]diazepin-10-yl]- [ACD/Index Name]
1-(3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(p-tolyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)hexan-1-one
1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one
1-[3-(3,4-Dimethoxy-phenyl)-1-hydroxy-11-p-tolyl-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazepin-10-yl]-hexan-1-one
731834-56-3 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 717.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 110.1±3.0 kJ/mol
    Flash Point: 387.8±32.9 °C
    Index of Refraction: 1.606
    Molar Refractivity: 157.3±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 7.66
    ACD/LogD (pH 5.5): 7.13
    ACD/BCF (pH 5.5): 154214.30
    ACD/KOC (pH 5.5): 179593.48
    ACD/LogD (pH 7.4): 7.13
    ACD/BCF (pH 7.4): 153140.50
    ACD/KOC (pH 7.4): 178342.97
    Polar Surface Area: 71 Å2
    Polarizability: 62.3±0.5 10-24cm3
    Surface Tension: 42.8±7.0 dyne/cm
    Molar Volume: 456.1±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement