ChemSpider 2D Image | N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE | C28H35N5O4S2

N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE

  • Molecular FormulaC28H35N5O4S2
  • Average mass569.739 Da
  • Monoisotopic mass569.213074 Da
  • ChemSpider ID4449818

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Prolinamide, 3-cyclohexyl-N-[(phenylmethyl)sulfonyl]-D-alanyl-N-(2-amino-6-benzothiazolyl)- [ACD/Index Name]
N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE
N-(Benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-(2-amino-1,3-benzothiazol-6-yl)-L-prolinamid [German] [ACD/IUPAC Name]
N-(Benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-(2-amino-1,3-benzothiazol-6-yl)-L-prolinamide [ACD/IUPAC Name]
N-(Benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-(2-amino-1,3-benzothiazol-6-yl)-L-prolinamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.665
Molar Refractivity: 154.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 804.16
ACD/KOC (pH 5.5): 4118.38
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 829.08
ACD/KOC (pH 7.4): 4246.01
Polar Surface Area: 171 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 69.7±3.0 dyne/cm
Molar Volume: 415.1±3.0 cm3

Click to predict properties on the Chemicalize site


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