ChemSpider 2D Image | (8S,8aR,11aS)-N-(4-Chloro-3-nitrophenyl)-9,11-dioxo-10-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide | C27H19ClN4O5

(8S,8aR,11aS)-N-(4-Chloro-3-nitrophenyl)-9,11-dioxo-10-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide

  • Molecular FormulaC27H19ClN4O5
  • Average mass514.917 Da
  • Monoisotopic mass514.104370 Da
  • ChemSpider ID22870097

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(8S,8aR,11aS)-N-(4-Chlor-3-nitrophenyl)-9,11-dioxo-10-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isochinolin-8-carboxamid [German] [ACD/IUPAC Name]
(8S,8aR,11aS)-N-(4-Chloro-3-nitrophényl)-9,11-dioxo-10-phényl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoléine-8-carboxamide [French] [ACD/IUPAC Name]
(8S,8aR,11aS)-N-(4-Chloro-3-nitrophenyl)-9,11-dioxo-10-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide [ACD/IUPAC Name]
8H-Pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide, N-(4-chloro-3-nitrophenyl)-8a,9,10,11,11a,11b-hexahydro-9,11-dioxo-10-phenyl-, (8S,8aR,11aS)- [ACD/Index Name]
1013869-12-9 [RN]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 851.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 123.8±3.0 kJ/mol
    Flash Point: 469.0±34.3 °C
    Index of Refraction: 1.755
    Molar Refractivity: 134.2±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: 5.60
    ACD/LogD (pH 5.5): 5.08
    ACD/BCF (pH 5.5): 4303.56
    ACD/KOC (pH 5.5): 13889.49
    ACD/LogD (pH 7.4): 5.08
    ACD/BCF (pH 7.4): 4303.30
    ACD/KOC (pH 7.4): 13888.62
    Polar Surface Area: 116 Å2
    Polarizability: 53.2±0.5 10-24cm3
    Surface Tension: 84.0±5.0 dyne/cm
    Molar Volume: 327.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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