ChemSpider 2D Image | S-Benzyl-N~2~-{3-[(3-chlorophenyl)sulfonyl]propanoyl}-N-(2,5-dimethoxyphenyl)cysteinamide | C27H29ClN2O6S2

S-Benzyl-N2-{3-[(3-chlorophenyl)sulfonyl]propanoyl}-N-(2,5-dimethoxyphenyl)cysteinamide

  • Molecular FormulaC27H29ClN2O6S2
  • Average mass577.112 Da
  • Monoisotopic mass576.115540 Da
  • ChemSpider ID120817774

More details:

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

Propanamide, 2-[[3-[(3-chlorophenyl)sulfonyl]-1-oxopropyl]amino]-N-(2,5-dimethoxyphenyl)-3-[(phenylmethyl)thio]- [ACD/Index Name]
S-Benzyl-N2-{3-[(3-chlorophenyl)sulfonyl]propanoyl}-N-(2,5-dimethoxyphenyl)cysteinamide [ACD/IUPAC Name]
S-Benzyl-N2-{3-[(3-chlorophényl)sulfonyl]propanoyl}-N-(2,5-diméthoxyphényl)cystéinamide [French] [ACD/IUPAC Name]
S-Benzyl-N2-{3-[(3-chlorphenyl)sulfonyl]propanoyl}-N-(2,5-dimethoxyphenyl)cysteinamid [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: 838.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.8±3.0 kJ/mol
Flash Point: 460.8±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 150.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 583.66
ACD/KOC (pH 5.5): 3323.64
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 583.67
ACD/KOC (pH 7.4): 3323.70
Polar Surface Area: 144 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 432.2±3.0 cm3

Click to predict properties on the Chemicalize site


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