ChemSpider 2D Image | (1'R,2'R)-1'-Benzoyl-2'-(2-ethoxyphenyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione | C35H27NO4

(1'R,2'R)-1'-Benzoyl-2'-(2-ethoxyphenyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione

  • Molecular FormulaC35H27NO4
  • Average mass525.593 Da
  • Monoisotopic mass525.194031 Da
  • ChemSpider ID22870160

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1'R,2'R)-1'-Benzoyl-2'-(2-ethoxyphenyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione [ACD/IUPAC Name]
Spiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione, 1'-benzoyl-2'-(2-ethoxyphenyl)-1',2'-dihydro-, (1'R,2'R)- [ACD/Index Name]
(1R,2R)-1-benzoyl-2-(2-ethoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
1216945-74-2 [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: 728.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 106.3±3.0 kJ/mol
    Flash Point: 394.2±32.9 °C
    Index of Refraction: 1.710
    Molar Refractivity: 151.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 7.32
    ACD/LogD (pH 5.5): 6.50
    ACD/BCF (pH 5.5): 51091.85
    ACD/KOC (pH 5.5): 81603.95
    ACD/LogD (pH 7.4): 6.50
    ACD/BCF (pH 7.4): 51136.41
    ACD/KOC (pH 7.4): 81675.13
    Polar Surface Area: 64 Å2
    Polarizability: 60.1±0.5 10-24cm3
    Surface Tension: 67.8±5.0 dyne/cm
    Molar Volume: 387.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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