ChemSpider 2D Image | (1S,2R,3S)-1-Benzoyl-2-(2-chlorophenyl)-3-cyano-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxamide | C27H20ClN3O2

(1S,2R,3S)-1-Benzoyl-2-(2-chlorophenyl)-3-cyano-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxamide

  • Molecular FormulaC27H20ClN3O2
  • Average mass453.920 Da
  • Monoisotopic mass453.124420 Da
  • ChemSpider ID22869524

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1S,2R,3S)-1-Benzoyl-2-(2-chlorophényl)-3-cyano-1,2,3,3a-tétrahydropyrrolo[1,2-a]quinoléine-3-carboxamide [French] [ACD/IUPAC Name]
(1S,2R,3S)-1-Benzoyl-2-(2-chlorophenyl)-3-cyano-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxamide [ACD/IUPAC Name]
(1S,2R,3S)-1-Benzoyl-2-(2-chlorphenyl)-3-cyan-1,2,3,3a-tetrahydropyrrolo[1,2-a]chinolin-3-carboxamid [German] [ACD/IUPAC Name]
Pyrrolo[1,2-a]quinoline-3-carboxamide, 1-benzoyl-2-(2-chlorophenyl)-3-cyano-1,2,3,3a-tetrahydro-, (1S,2R,3S)- [ACD/Index Name]
(1S,2R,3S)-1-benzoyl-2-(2-chlorophenyl)-3-cyano-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3-carboxamide
1014023-22-3 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 715.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.6±3.0 kJ/mol
    Flash Point: 386.6±32.9 °C
    Index of Refraction: 1.713
    Molar Refractivity: 126.1±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.22
    ACD/LogD (pH 5.5): 4.37
    ACD/BCF (pH 5.5): 1235.83
    ACD/KOC (pH 5.5): 5686.22
    ACD/LogD (pH 7.4): 4.37
    ACD/BCF (pH 7.4): 1235.83
    ACD/KOC (pH 7.4): 5686.22
    Polar Surface Area: 87 Å2
    Polarizability: 50.0±0.5 10-24cm3
    Surface Tension: 73.4±5.0 dyne/cm
    Molar Volume: 321.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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