ChemSpider 2D Image | (1'S,2'S,3R,3a'R)-1'-(2,2-Dimethylpropanoyl)-5'-methyl-2'-(3,4,5-trimethoxybenzoyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one | C35H36N2O6

(1'S,2'S,3R,3a'R)-1'-(2,2-Dimethylpropanoyl)-5'-methyl-2'-(3,4,5-trimethoxybenzoyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one

  • Molecular FormulaC35H36N2O6
  • Average mass580.670 Da
  • Monoisotopic mass580.257324 Da
  • ChemSpider ID30673560

  • 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'-(2,2-Dimethylpropanoyl)-5'-methyl-2'-(3,4,5-trimethoxybenzoyl)-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'-(2,2-dimethyl-1-oxopropyl)-1',2'-dihydro-5'-methyl-2'-(3,4,5-trimethoxybenzoyl)-, (1'S,2'S,3R,3a'R)- [ACD/Index Name]
(1'S,2'S,3R,3'aR)-1'-(2,2-dimethylpropanoyl)-5'-methyl-2'-(3,4,5-trimethoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
1246070-95-0 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 749.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 109.3±3.0 kJ/mol
    Flash Point: 407.3±32.9 °C
    Index of Refraction: 1.647
    Molar Refractivity: 161.5±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 6.64
    ACD/LogD (pH 5.5): 5.22
    ACD/BCF (pH 5.5): 5493.55
    ACD/KOC (pH 5.5): 16539.78
    ACD/LogD (pH 7.4): 5.22
    ACD/BCF (pH 7.4): 5495.67
    ACD/KOC (pH 7.4): 16546.17
    Polar Surface Area: 94 Å2
    Polarizability: 64.0±0.5 10-24cm3
    Surface Tension: 60.0±5.0 dyne/cm
    Molar Volume: 444.3±5.0 cm3

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