ChemSpider 2D Image | 4-{3-(2-Furyl)-11-[4-(methoxycarbonyl)phenyl]-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid | C29H26N2O7

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

  • Molecular FormulaC29H26N2O7
  • Average mass514.526 Da
  • Monoisotopic mass514.174011 Da
  • ChemSpider ID2791687

More details:

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

10H-Dibenzo[b,e][1,4]diazepine-10-butanoic acid, 3-(2-furanyl)-1,2,3,4,5,11-hexahydro-11-[4-(methoxycarbonyl)phenyl]-γ,1-dioxo- [ACD/Index Name]
4-{3-(2-Furyl)-11-[4-(methoxycarbonyl)phenyl]-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-{3-(2-Furyl)-11-[4-(methoxycarbonyl)phenyl]-1-oxo-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-(2-furyl)-11-[4-(méthoxycarbonyl)phényl]-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazépin-10-yl}-4-oxobutanoïque [French] [ACD/IUPAC Name]
4-(3-(furan-2-yl)-11-(4-(methoxycarbonyl)phenyl)-1-oxo-3,4-dihydro-1H-dibenzo[b,e][1,4]diazepin-10(2H,5H,11H)-yl)-4-oxobutanoic acid
4-[(6S,9S)-9-(furan-2-yl)-6-(4-methoxycarbonylphenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
4-[9-(furan-2-yl)-6-(4-methoxycarbonylphenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
442570-55-0 [RN]
AC1MS56U
AGN-PC-0K510C
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 781.9±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: 426.7±32.9 °C
    Index of Refraction: 1.668
    Molar Refractivity: 135.4±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 3.42
    ACD/LogD (pH 5.5): 2.34
    ACD/BCF (pH 5.5): 17.25
    ACD/KOC (pH 5.5): 113.98
    ACD/LogD (pH 7.4): 0.57
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.91
    Polar Surface Area: 126 Å2
    Polarizability: 53.7±0.5 10-24cm3
    Surface Tension: 70.7±5.0 dyne/cm
    Molar Volume: 363.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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