ChemSpider 2D Image | 4-[11-(4-Methylphenyl)-3-(3-nitrophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid | C30H27N3O6

4-[11-(4-Methylphenyl)-3-(3-nitrophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid

  • Molecular FormulaC30H27N3O6
  • Average mass525.552 Da
  • Monoisotopic mass525.190002 Da
  • ChemSpider ID2160838

More details:

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

10H-Dibenzo[b,e][1,4]diazepine-10-butanoic acid, 1,2,3,4,5,11-hexahydro-11-(4-methylphenyl)-3-(3-nitrophenyl)-γ,1-dioxo- [ACD/Index Name]
4-[11-(4-Methylphenyl)-3-(3-nitrophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid [ACD/IUPAC Name]
4-[11-(4-Methylphenyl)-3-(3-nitrophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutansäure [German] [ACD/IUPAC Name]
4-[3-{3-nitrophenyl}-11-(4-methylphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Acide 4-[11-(4-méthylphényl)-3-(3-nitrophényl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazépin-10-yl]-4-oxobutanoïque [French] [ACD/IUPAC Name]
351162-94-2 [RN]
4-(3-(3-nitrophenyl)-1-oxo-11-(p-tolyl)-3,4-dihydro-1H-dibenzo[b,e][1,4]diazepin-10(2H,5H,11H)-yl)-4-oxobutanoic acid
4-[3-(3-Nitro-phenyl)-1-oxo-11-p-tolyl-1,2,3,4,5,11-hexahydro-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxo-butyric acid
4-[6-(4-methylphenyl)-9-(3-nitrophenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid

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

AK-968/15361795 [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: 797.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 121.7±3.0 kJ/mol
    Flash Point: 436.4±32.9 °C
    Index of Refraction: 1.690
    Molar Refractivity: 142.5±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 4.47
    ACD/LogD (pH 5.5): 3.51
    ACD/BCF (pH 5.5): 132.34
    ACD/KOC (pH 5.5): 489.97
    ACD/LogD (pH 7.4): 1.73
    ACD/BCF (pH 7.4): 2.22
    ACD/KOC (pH 7.4): 8.21
    Polar Surface Area: 133 Å2
    Polarizability: 56.5±0.5 10-24cm3
    Surface Tension: 73.0±5.0 dyne/cm
    Molar Volume: 372.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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