ChemSpider 2D Image | (1'R,2'S,3R)-2'-Benzoyl-2-oxo-N-phenyl-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinoline]-1'-carboxamide | C33H25N3O3

(1'R,2'S,3R)-2'-Benzoyl-2-oxo-N-phenyl-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinoline]-1'-carboxamide

  • Molecular FormulaC33H25N3O3
  • Average mass511.570 Da
  • Monoisotopic mass511.189606 Da
  • ChemSpider ID17463176

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1'R,2'S,3R)-2'-Benzoyl-2-oxo-N-phenyl-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinoline]-1'-carboxamide [ACD/IUPAC Name]
Spiro[3H-indole-3,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1'-carboxamide, 2'-benzoyl-1,1',2,2'-tetrahydro-2-oxo-N-phenyl-, (1'R,2'S,3R)- [ACD/Index Name]
(1'R,2'S,3R)-2'-benzoyl-2-oxo-N-phenylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-1'-carboxamide
1212431-85-0 [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: 802.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 116.7±3.0 kJ/mol
    Flash Point: 439.4±34.3 °C
    Index of Refraction: 1.745
    Molar Refractivity: 147.8±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: 5.91
    ACD/LogD (pH 5.5): 4.86
    ACD/BCF (pH 5.5): 2912.35
    ACD/KOC (pH 5.5): 10502.07
    ACD/LogD (pH 7.4): 4.86
    ACD/BCF (pH 7.4): 2912.93
    ACD/KOC (pH 7.4): 10504.17
    Polar Surface Area: 79 Å2
    Polarizability: 58.6±0.5 10-24cm3
    Surface Tension: 74.0±5.0 dyne/cm
    Molar Volume: 364.8±5.0 cm3

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