ChemSpider 2D Image | 3-{[(1R)-1-(4-Fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzyl alpha-methyl-L-phenylalaninate | C28H32FN3O5S

3-{[(1R)-1-(4-Fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzyl α-methyl-L-phenylalaninate

  • Molecular FormulaC28H32FN3O5S
  • Average mass541.634 Da
  • Monoisotopic mass541.204651 Da
  • ChemSpider ID62355468

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-{[(1R)-1-(4-Fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzyl α-methyl-L-phenylalaninate [ACD/IUPAC Name]
3-{[(1R)-1-(4-Fluorphenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzyl-α-methyl-L-phenylalaninat [German] [ACD/IUPAC Name]
L-Phenylalanine, α-methyl-, [3-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]carbonyl]-5-[methyl(methylsulfonyl)amino]phenyl]methyl ester [ACD/Index Name]
α-Méthyl-L-phénylalaninate de 3-{[(1R)-1-(4-fluorophényl)éthyl]carbamoyl}-5-[méthyl(méthylsulfonyl)amino]benzyle [French] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 4.09
ACD/KOC (pH 5.5): 33.72
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 106.61
ACD/KOC (pH 7.4): 878.58
Polar Surface Area: 127 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 421.2±3.0 cm3

Click to predict properties on the Chemicalize site


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