ChemSpider 2D Image | 3-[4-(Diethylamino)phenyl]-11-(2-furyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | C29H28F3N3O3

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

  • Molecular FormulaC29H28F3N3O3
  • Average mass523.546 Da
  • Monoisotopic mass523.208252 Da
  • ChemSpider ID2985740

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

1H-Dibenzo[b,e][1,4]diazepin-1-one, 3-[4-(diethylamino)phenyl]-11-(2-furanyl)-2,3,4,5,10,11-hexahydro-10-(2,2,2-trifluoroacetyl)- [ACD/Index Name]
3-[4-(Diéthylamino)phényl]-11-(2-furyl)-10-(2,2,2-trifluoroacétyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazépin-1-one [French] [ACD/IUPAC Name]
3-[4-(Diethylamino)phenyl]-11-(2-furyl)-10-(trifluoracetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-on [German] [ACD/IUPAC Name]
3-[4-(Diethylamino)phenyl]-11-(2-furyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one [ACD/IUPAC Name]
(6S,9S)-9-[4-(diethylamino)phenyl]-6-(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
3-(4-Diethylamino-phenyl)-11-furan-2-yl-10-(2,2,2-trifluoro-acetyl)-2,3,4,5,10,11-hexahydro-dibenzo[b,e][1,4]diazepin-1-one
3-[4-(diethylamino)phenyl]-11-(2-furyl)-10-(2,2,2-trifluoroacetyl)-2,3,4-trihy dro-5H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one
3-[4-(diethylamino)phenyl]-11-(furan-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
354538-57-1 [RN]
9-[4-(diethylamino)phenyl]-6-(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AK-968/15360976 [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: 657.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 96.8±3.0 kJ/mol
    Flash Point: 351.5±31.5 °C
    Index of Refraction: 1.620
    Molar Refractivity: 136.2±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 6.52
    ACD/LogD (pH 5.5): 4.26
    ACD/BCF (pH 5.5): 448.88
    ACD/KOC (pH 5.5): 1034.46
    ACD/LogD (pH 7.4): 5.61
    ACD/BCF (pH 7.4): 9896.68
    ACD/KOC (pH 7.4): 22807.27
    Polar Surface Area: 66 Å2
    Polarizability: 54.0±0.5 10-24cm3
    Surface Tension: 54.9±5.0 dyne/cm
    Molar Volume: 387.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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