ChemSpider 2D Image | Ethyl S-benzyl-N-[cyclopentyl(4-methoxyphenyl)acetyl]cysteinyl-N-propyl-beta-alaninate | C32H44N2O5S

Ethyl S-benzyl-N-[cyclopentyl(4-methoxyphenyl)acetyl]cysteinyl-N-propyl-β-alaninate

  • Molecular FormulaC32H44N2O5S
  • Average mass568.767 Da
  • Monoisotopic mass568.297119 Da
  • ChemSpider ID121763611

More details:

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

Ethyl S-benzyl-N-[cyclopentyl(4-methoxyphenyl)acetyl]cysteinyl-N-propyl-β-alaninate [ACD/IUPAC Name]
Ethyl-S-benzyl-N-[cyclopentyl(4-methoxyphenyl)acetyl]cysteinyl-N-propyl-β-alaninat [German] [ACD/IUPAC Name]
S-Benzyl-N-[2-cyclopentyl-2-(4-méthoxyphényl)acétyl]cystéinyl-N-propyl-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[2-cyclopentyl-2-(4-methoxyphenyl)acetyl]-S-(phenylmethyl)cysteinyl-N-propyl-, ethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 745.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 404.6±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 160.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 5.37
ACD/BCF (pH 5.5): 7050.95
ACD/KOC (pH 5.5): 19777.27
ACD/LogD (pH 7.4): 5.37
ACD/BCF (pH 7.4): 7050.95
ACD/KOC (pH 7.4): 19777.29
Polar Surface Area: 110 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 495.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement