ChemSpider 2D Image | Ethyl (1'S,2'S,3R,3a'R)-2-oxo-2'-(4-propylbenzoyl)-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate | C32H30N2O4

Ethyl (1'S,2'S,3R,3a'R)-2-oxo-2'-(4-propylbenzoyl)-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate

  • Molecular FormulaC32H30N2O4
  • Average mass506.592 Da
  • Monoisotopic mass506.220551 Da
  • ChemSpider ID17464114

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Ethyl (1'S,2'S,3R,3a'R)-2-oxo-2'-(4-propylbenzoyl)-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate [ACD/IUPAC Name]
Spiro[3H-indole-3,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1'-carboxylic acid, 1,1',2,2'-tetrahydro-2-oxo-2'-(4-propylbenzoyl)-, ethyl ester, (1'S,2'S,3R,3a'R)- [ACD/Index Name]
(1'S,2'S,3R,3a'R)-ethyl 2-oxo-2'-(4-propylbenzoyl)-2',3a'-dihydro-1'H-spiro[indoline-3,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate
1212462-58-2 [RN]
ethyl (1'S,2'S,3R,3'aR)-2-oxo-2'-(4-propylbenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-1'-carboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 705.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.3±3.0 kJ/mol
    Flash Point: 380.7±32.9 °C
    Index of Refraction: 1.673
    Molar Refractivity: 144.3±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 6.97
    ACD/LogD (pH 5.5): 5.65
    ACD/BCF (pH 5.5): 11632.16
    ACD/KOC (pH 5.5): 28298.64
    ACD/LogD (pH 7.4): 5.65
    ACD/BCF (pH 7.4): 11634.21
    ACD/KOC (pH 7.4): 28303.61
    Polar Surface Area: 76 Å2
    Polarizability: 57.2±0.5 10-24cm3
    Surface Tension: 63.5±5.0 dyne/cm
    Molar Volume: 385.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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