ChemSpider 2D Image | 1-{11-[4-(Diethylamino)phenyl]-3-(2-furyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2,2,2-trifluoroethanone | C29H28F3N3O3

1-{11-[4-(Diethylamino)phenyl]-3-(2-furyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2,2,2-trifluoroethanone

  • Molecular FormulaC29H28F3N3O3
  • Average mass523.546 Da
  • Monoisotopic mass523.208252 Da
  • ChemSpider ID21338839

More details:

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

1-{11-[4-(Diethylamino)phenyl]-3-(2-furyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2,2,2-trifluorethanon [German] [ACD/IUPAC Name]
1-{11-[4-(Diethylamino)phenyl]-3-(2-furyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2,2,2-trifluoroethanone [ACD/IUPAC Name]
1-{11-[4-(Diéthylamino)phényl]-3-(2-furyl)-1-hydroxy-2,3,4,11-tétrahydro-10H-dibenzo[b,e][1,4]diazépin-10-yl}-2,2,2-trifluoroéthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[11-[4-(diethylamino)phenyl]-3-(2-furanyl)-2,3,4,11-tetrahydro-1-hydroxy-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoro- [ACD/Index Name]
1-(11-(4-(diethylamino)phenyl)-3-(furan-2-yl)-1-hydroxy-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-2,2,2-trifluoroethanone
1-{11-[4-(diethylamino)phenyl]-3-(furan-2-yl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2,2,2-trifluoroethanone
673437-37-1 [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: 648.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 100.5±3.0 kJ/mol
    Flash Point: 346.0±31.5 °C
    Index of Refraction: 1.610
    Molar Refractivity: 137.3±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 7.39
    ACD/LogD (pH 5.5): 4.98
    ACD/BCF (pH 5.5): 2093.61
    ACD/KOC (pH 5.5): 4402.94
    ACD/LogD (pH 7.4): 5.89
    ACD/BCF (pH 7.4): 17044.98
    ACD/KOC (pH 7.4): 35846.30
    Polar Surface Area: 69 Å2
    Polarizability: 54.4±0.5 10-24cm3
    Surface Tension: 43.9±7.0 dyne/cm
    Molar Volume: 395.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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