ChemSpider 2D Image | 1-[1-Hydroxy-3-(4-methylphenyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone | C31H32N2O5

1-[1-Hydroxy-3-(4-methylphenyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone

  • Molecular FormulaC31H32N2O5
  • Average mass512.596 Da
  • Monoisotopic mass512.231140 Da
  • ChemSpider ID12267678

More details:

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

1-[1-Hydroxy-3-(4-methylphenyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanon [German] [ACD/IUPAC Name]
1-[1-Hydroxy-3-(4-methylphenyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone [ACD/IUPAC Name]
1-[1-Hydroxy-3-(4-méthylphényl)-11-(3,4,5-triméthoxyphényl)-2,3,4,11-tétrahydro-10H-dibenzo[b,e][1,4]diazépin-10-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[2,3,4,11-tetrahydro-1-hydroxy-3-(4-methylphenyl)-11-(3,4,5-trimethoxyphenyl)-10H-dibenzo[b,e][1,4]diazepin-10-yl]- [ACD/Index Name]
1-(1-hydroxy-3-(p-tolyl)-11-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)ethanone
1-[1-Hydroxy-3-p-tolyl-11-(3,4,5-trimethoxy-phenyl)-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazepin-10-yl]-ethanone
10-acetyl-3-(4-methylphenyl)-11-(3,4,5-trimethoxyphenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
2H-dibenzo[b,e][1,4]diazepin-1-ol, 10-acetyl-3,4,10,11-tetrahydro-3-(4-methylphenyl)-11-(3,4,5-trimethoxyphenyl)-
675141-88-5 [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: 702.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 108.0±3.0 kJ/mol
    Flash Point: 378.7±32.9 °C
    Index of Refraction: 1.617
    Molar Refractivity: 144.6±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 5.24
    ACD/LogD (pH 5.5): 5.13
    ACD/BCF (pH 5.5): 4639.19
    ACD/KOC (pH 5.5): 14632.61
    ACD/LogD (pH 7.4): 5.12
    ACD/BCF (pH 7.4): 4600.12
    ACD/KOC (pH 7.4): 14509.42
    Polar Surface Area: 81 Å2
    Polarizability: 57.3±0.5 10-24cm3
    Surface Tension: 43.6±7.0 dyne/cm
    Molar Volume: 413.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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