ChemSpider 2D Image | 3-[4-(2-Methyl-2-propanyl)phenyl]-10-(trifluoroacetyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | C32H28F6N2O2

3-[4-(2-Methyl-2-propanyl)phenyl]-10-(trifluoroacetyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

  • Molecular FormulaC32H28F6N2O2
  • Average mass586.567 Da
  • Monoisotopic mass586.205505 Da
  • ChemSpider ID4188858

More details:

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

1H-Dibenzo[b,e][1,4]diazepin-1-one, 3-[4-(1,1-dimethylethyl)phenyl]-2,3,4,5,10,11-hexahydro-10-(2,2,2-trifluoroacetyl)-11-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
3-[4-(2-Méthyl-2-propanyl)phényl]-10-(2,2,2-trifluoroacétyl)-11-[4-(trifluorométhyl)phényl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazépin-1-one [French] [ACD/IUPAC Name]
3-[4-(2-Methyl-2-propanyl)phenyl]-10-(trifluoracetyl)-11-[4-(trifluormethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-on [German] [ACD/IUPAC Name]
3-[4-(2-Methyl-2-propanyl)phenyl]-10-(trifluoroacetyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one [ACD/IUPAC Name]
1H-dibenzo[b,e][1,4]diazepin-1-one, 3-[4-(1,1-dimethylethyl)phenyl]-2,3,4,5,10,11-hexahydro-10-(trifluoroacetyl)-11-[4-(trifluoromethyl)phenyl]-
3-(4-tert-Butyl-phenyl)-10-(2,2,2-trifluoro-acetyl)-11-(4-trifluoromethyl-phenyl)-2,3,4,5,10,11-hexahydro-dibenzo[b,e][1,4]diazepin-1-one
3-(4-tert-butylphenyl)-10-(trifluoroacetyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
523992-67-8 [RN]
9-(4-tert-butylphenyl)-5-(2,2,2-trifluoroacetyl)-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
YHNFRTMKFSESIF-UHFFFAOYSA-N

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

AJ-292/41694790 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 647.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.5±3.0 kJ/mol
    Flash Point: 345.5±31.5 °C
    Index of Refraction: 1.588
    Molar Refractivity: 144.8±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 8.45
    ACD/LogD (pH 5.5): 7.54
    ACD/BCF (pH 5.5): 316816.81
    ACD/KOC (pH 5.5): 301336.06
    ACD/LogD (pH 7.4): 7.54
    ACD/BCF (pH 7.4): 316819.25
    ACD/KOC (pH 7.4): 301338.38
    Polar Surface Area: 49 Å2
    Polarizability: 57.4±0.5 10-24cm3
    Surface Tension: 48.1±5.0 dyne/cm
    Molar Volume: 430.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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