ChemSpider 2D Image | (1'S,2'S,3R,3a'R)-1'-Benzoyl-7'-methyl-2'-(3-pyridinylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one | C33H25N3O3

(1'S,2'S,3R,3a'R)-1'-Benzoyl-7'-methyl-2'-(3-pyridinylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one

  • Molecular FormulaC33H25N3O3
  • Average mass511.570 Da
  • Monoisotopic mass511.189606 Da
  • ChemSpider ID17465132

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1'S,2'S,3R,3a'R)-1'-Benzoyl-7'-methyl-2'-(3-pyridinylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one [ACD/IUPAC Name]
Spiro[3H-indole-3,3'(3'aH)-pyrrolo[1,2-a]quinolin]-2(1H)-one, 1'-benzoyl-1',2'-dihydro-7'-methyl-2'-(3-pyridinylcarbonyl)-, (1'S,2'S,3R,3a'R)- [ACD/Index Name]
(1'S,2'S,3R,3'aR)-1'-benzoyl-7'-methyl-2'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
1177656-31-3 [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: 774.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 112.7±3.0 kJ/mol
    Flash Point: 422.0±32.9 °C
    Index of Refraction: 1.734
    Molar Refractivity: 146.6±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: 5.64
    ACD/LogD (pH 5.5): 4.73
    ACD/BCF (pH 5.5): 2313.08
    ACD/KOC (pH 5.5): 8898.48
    ACD/LogD (pH 7.4): 4.73
    ACD/BCF (pH 7.4): 2319.86
    ACD/KOC (pH 7.4): 8924.56
    Polar Surface Area: 79 Å2
    Polarizability: 58.1±0.5 10-24cm3
    Surface Tension: 74.6±5.0 dyne/cm
    Molar Volume: 365.9±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement