ChemSpider 2D Image | (6aR,6bS,9aR,10S)-8-(2,4-Dimethylphenyl)-N-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide | C29H24N4O5

(6aR,6bS,9aR,10S)-8-(2,4-Dimethylphenyl)-N-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide

  • Molecular FormulaC29H24N4O5
  • Average mass508.525 Da
  • Monoisotopic mass508.174683 Da
  • ChemSpider ID22851260

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6aR,6bS,9aR,10S)-8-(2,4-Dimethylphenyl)-N-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]chinolin-10-carboxamid [German] [ACD/IUPAC Name]
(6aR,6bS,9aR,10S)-8-(2,4-Diméthylphényl)-N-(4-nitrophényl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoléine-10-carboxamide [French] [ACD/IUPAC Name]
(6aR,6bS,9aR,10S)-8-(2,4-Dimethylphenyl)-N-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide [ACD/IUPAC Name]
7H-Pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide, 8-(2,4-dimethylphenyl)-6a,6b,8,9,9a,10-hexahydro-N-(4-nitrophenyl)-7,9-dioxo-, (6aR,6bS,9aR,10S)- [ACD/Index Name]
1013803-83-2 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 846.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 122.9±3.0 kJ/mol
    Flash Point: 465.4±34.3 °C
    Index of Refraction: 1.728
    Molar Refractivity: 138.6±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 4.62
    ACD/LogD (pH 5.5): 4.48
    ACD/BCF (pH 5.5): 1489.60
    ACD/KOC (pH 5.5): 6498.23
    ACD/LogD (pH 7.4): 4.48
    ACD/BCF (pH 7.4): 1490.58
    ACD/KOC (pH 7.4): 6502.52
    Polar Surface Area: 116 Å2
    Polarizability: 54.9±0.5 10-24cm3
    Surface Tension: 77.0±5.0 dyne/cm
    Molar Volume: 348.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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