ChemSpider 2D Image | 4-{3-[4-(Dimethylamino)phenyl]-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid | C31H31N3O4

4-{3-[4-(Dimethylamino)phenyl]-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid

  • Molecular FormulaC31H31N3O4
  • Average mass509.595 Da
  • Monoisotopic mass509.231445 Da
  • ChemSpider ID2165181

More details:

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

10H-Dibenzo[b,e][1,4]diazepine-10-butanoic acid, 3-[4-(dimethylamino)phenyl]-1,2,3,4,5,11-hexahydro-γ,1-dioxo-11-phenyl- [ACD/Index Name]
4-{3-[4-(Dimethylamino)phenyl]-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid [ACD/IUPAC Name]
4-{3-[4-(Dimethylamino)phenyl]-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-{3-[4-(diméthylamino)phényl]-1-oxo-11-phényl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazépin-10-yl}-4-oxobutanoïque [French] [ACD/IUPAC Name]
351164-86-8 [RN]
4-(3-(4-(dimethylamino)phenyl)-1-oxo-11-phenyl-3,4-dihydro-1H-dibenzo[b,e][1,4]diazepin-10(2H,5H,11H)-yl)-4-oxobutanoic acid
4-[3-(4-Dimethylamino-phenyl)-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxo-butyric acid
4-[9-(4-DIMETHYLAMINOPHENYL)-7-OXO-6-PHENYL-8,9,10,11-TETRAHYDRO-6H-BENZO[B][1,4]BENZODIAZEPIN-5-YL]-4-OXOBUTANOIC ACID
4-[9-[4-(dimethylamino)phenyl]-7-oxo-6-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
AC1MF9RB
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AJ-292/14921063 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 781.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 119.3±3.0 kJ/mol
    Flash Point: 426.3±32.9 °C
    Index of Refraction: 1.678
    Molar Refractivity: 145.0±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 4.39
    ACD/LogD (pH 5.5): 3.08
    ACD/BCF (pH 5.5): 54.44
    ACD/KOC (pH 5.5): 219.02
    ACD/LogD (pH 7.4): 1.58
    ACD/BCF (pH 7.4): 1.71
    ACD/KOC (pH 7.4): 6.87
    Polar Surface Area: 90 Å2
    Polarizability: 57.5±0.5 10-24cm3
    Surface Tension: 66.9±5.0 dyne/cm
    Molar Volume: 384.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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