ChemSpider 2D Image | N-[4-(Benzyloxy)phenyl]-N-(methylsulfonyl)glycyl-N~2~-(2-chlorobenzyl)-N-cyclopentylalaninamide | C31H36ClN3O5S

N-[4-(Benzyloxy)phenyl]-N-(methylsulfonyl)glycyl-N2-(2-chlorobenzyl)-N-cyclopentylalaninamide

  • Molecular FormulaC31H36ClN3O5S
  • Average mass598.153 Da
  • Monoisotopic mass597.206421 Da
  • ChemSpider ID68486003

More details:

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

Alaninamide, N-(methylsulfonyl)-N-[4-(phenylmethoxy)phenyl]glycyl-N2-[(2-chlorophenyl)methyl]-N-cyclopentyl- [ACD/Index Name]
N-[4-(Benzyloxy)phenyl]-N-(methylsulfonyl)glycyl-N2-(2-chlorbenzyl)-N-cyclopentylalaninamid [German] [ACD/IUPAC Name]
N-[4-(Benzyloxy)phenyl]-N-(methylsulfonyl)glycyl-N2-(2-chlorobenzyl)-N-cyclopentylalaninamide [ACD/IUPAC Name]
N-[4-(Benzyloxy)phényl]-N-(méthylsulfonyl)glycyl-N2-(2-chlorobenzyl)-N-cyclopentylalaninamide [French] [ACD/IUPAC Name]
2-(2-{N-[4-(BENZYLOXY)PHENYL]METHANESULFONAMIDO}-N-[(2-CHLOROPHENYL)METHYL]ACETAMIDO)-N-CYCLOPENTYLPROPANAMIDE

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: 1.632
Molar Refractivity: 161.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1042.79
ACD/KOC (pH 5.5): 5035.30
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1042.79
ACD/KOC (pH 7.4): 5035.30
Polar Surface Area: 104 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 452.0±5.0 cm3

Click to predict properties on the Chemicalize site


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