ChemSpider 2D Image | N-{(3R)-2-[(Benzoylsulfanyl)methyl]-3-phenylbutanoyl}alanine | C21H23NO4S

N-{(3R)-2-[(Benzoylsulfanyl)methyl]-3-phenylbutanoyl}alanine

  • Molecular FormulaC21H23NO4S
  • Average mass385.477 Da
  • Monoisotopic mass385.134766 Da
  • ChemSpider ID68024235

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

Alanine, N-[(3R)-2-[(benzoylthio)methyl]-1-oxo-3-phenylbutyl]- [ACD/Index Name]
N-{(3R)-2-[(Benzoylsulfanyl)methyl]-3-phenylbutanoyl}alanin [German] [ACD/IUPAC Name]
N-{(3R)-2-[(Benzoylsulfanyl)methyl]-3-phenylbutanoyl}alanine [ACD/IUPAC Name]
N-{(3R)-2-[(Benzoylsulfanyl)méthyl]-3-phénylbutanoyl}alanine [French] [ACD/IUPAC Name]
Mixanpril

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

Density: 1.2±0.1 g/cm3
Boiling Point: 612.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 324.4±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 106.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.17
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 313.2±3.0 cm3

Click to predict properties on the Chemicalize site


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