ChemSpider 2D Image | S-Benzyl-N-(3-chloro-2-methylphenyl)-N~2~-[(2E)-3-cyclopropyl-3-(3,4-dimethylphenyl)-2-propenoyl]cysteinamide | C31H33ClN2O2S

S-Benzyl-N-(3-chloro-2-methylphenyl)-N2-[(2E)-3-cyclopropyl-3-(3,4-dimethylphenyl)-2-propenoyl]cysteinamide

  • Molecular FormulaC31H33ClN2O2S
  • Average mass533.124 Da
  • Monoisotopic mass532.195129 Da
  • ChemSpider ID120675916

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Propenamide, N-[2-[(3-chloro-2-methylphenyl)amino]-2-oxo-1-[[(phenylmethyl)thio]methyl]ethyl]-3-cyclopropyl-3-(3,4-dimethylphenyl)-, (2E)- [ACD/Index Name]
S-Benzyl-N-(3-chlor-2-methylphenyl)-N2-[(2E)-3-cyclopropyl-3-(3,4-dimethylphenyl)-2-propenoyl]cysteinamid [German] [ACD/IUPAC Name]
S-Benzyl-N-(3-chloro-2-methylphenyl)-N2-[(2E)-3-cyclopropyl-3-(3,4-dimethylphenyl)-2-propenoyl]cysteinamide [ACD/IUPAC Name]
S-Benzyl-N-(3-chloro-2-méthylphényl)-N2-[(2E)-3-cyclopropyl-3-(3,4-diméthylphényl)-2-propenoyl]cystéinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 752.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 408.7±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 155.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.76
ACD/LogD (pH 5.5): 7.24
ACD/BCF (pH 5.5): 188239.66
ACD/KOC (pH 5.5): 207593.39
ACD/LogD (pH 7.4): 7.24
ACD/BCF (pH 7.4): 188236.77
ACD/KOC (pH 7.4): 207590.20
Polar Surface Area: 84 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 428.3±3.0 cm3

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