ChemSpider 2D Image | Methyl 2-[(S)-{(3S)-1-[(4-methylphenyl)sulfonyl]-2-oxo-3-phenyl-2,3-dihydro-1H-indol-3-yl}(phenyl)methyl]acrylate | C32H27NO5S

Methyl 2-[(S)-{(3S)-1-[(4-methylphenyl)sulfonyl]-2-oxo-3-phenyl-2,3-dihydro-1H-indol-3-yl}(phenyl)methyl]acrylate

  • Molecular FormulaC32H27NO5S
  • Average mass537.625 Da
  • Monoisotopic mass537.161011 Da
  • ChemSpider ID30653133

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Indole-3-propanoic acid, 2,3-dihydro-α-methylene-1-[(4-methylphenyl)sulfonyl]-2-oxo-β,3-diphenyl-, methyl ester, (βS,3S)- [ACD/Index Name]
2-[(S)-{(3S)-1-[(4-Méthylphényl)sulfonyl]-2-oxo-3-phényl-2,3-dihydro-1H-indol-3-yl}(phényl)méthyl]acrylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-[(S)-{(3S)-1-[(4-methylphenyl)sulfonyl]-2-oxo-3-phenyl-2,3-dihydro-1H-indol-3-yl}(phenyl)methyl]acrylate [ACD/IUPAC Name]
Methyl-2-[(S)-{(3S)-1-[(4-methylphenyl)sulfonyl]-2-oxo-3-phenyl-2,3-dihydro-1H-indol-3-yl}(phenyl)methyl]acrylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 675.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 362.3±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 150.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13635.07
ACD/KOC (pH 5.5): 31708.51
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 13635.07
ACD/KOC (pH 7.4): 31708.51
Polar Surface Area: 89 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 415.7±3.0 cm3

Click to predict properties on the Chemicalize site


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