ChemSpider 2D Image | (2'S,3S,3'S,10b'R)-3'-(2,2-Dimethylpropanoyl)-2'-(4-methoxybenzoyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one | C32H30N2O4

(2'S,3S,3'S,10b'R)-3'-(2,2-Dimethylpropanoyl)-2'-(4-methoxybenzoyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

  • Molecular FormulaC32H30N2O4
  • Average mass506.592 Da
  • Monoisotopic mass506.220551 Da
  • ChemSpider ID22851422

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2'S,3S,3'S,10b'R)-3'-(2,2-Dimethylpropanoyl)-2'-(4-methoxybenzoyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one [ACD/IUPAC Name]
Spiro[3H-indole-3,1'(10'bH)-pyrrolo[2,1-a]isoquinolin]-2(1H)-one, 3'-(2,2-dimethyl-1-oxopropyl)-2',3'-dihydro-2'-(4-methoxybenzoyl)-, (2'S,3S,3'S,10b'R)- [ACD/Index Name]
(2'S,3S,3'S,10'bR)-3'-(2,2-dimethylpropanoyl)-2'-(4-methoxybenzoyl)spiro[1H-indole-3,1'-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline]-2-one
(2'S,3S,3'S,10b'R)-3'-(2,2-dimethylpropanoyl)-2'-[(4-methoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
1177670-93-7 [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: 737.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 107.6±3.0 kJ/mol
    Flash Point: 399.8±32.9 °C
    Index of Refraction: 1.672
    Molar Refractivity: 144.3±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 7.56
    ACD/LogD (pH 5.5): 6.05
    ACD/BCF (pH 5.5): 23149.70
    ACD/KOC (pH 5.5): 46314.67
    ACD/LogD (pH 7.4): 6.05
    ACD/BCF (pH 7.4): 23151.15
    ACD/KOC (pH 7.4): 46317.57
    Polar Surface Area: 76 Å2
    Polarizability: 57.2±0.5 10-24cm3
    Surface Tension: 62.3±5.0 dyne/cm
    Molar Volume: 385.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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