ChemSpider 2D Image | N-{(2S,3R)-4-[(1,3-Benzothiazol-6-ylsulfonyl)(cyclohexylmethyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-3-hydroxybenzamide | C31H35N3O5S2

N-{(2S,3R)-4-[(1,3-Benzothiazol-6-ylsulfonyl)(cyclohexylmethyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-3-hydroxybenzamide

  • Molecular FormulaC31H35N3O5S2
  • Average mass593.757 Da
  • Monoisotopic mass593.201782 Da
  • ChemSpider ID34955291

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzamide, N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)(cyclohexylmethyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-hydroxy- [ACD/Index Name]
N-{(2S,3R)-4-[(1,3-Benzothiazol-6-ylsulfonyl)(cyclohexylmethyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-3-hydroxybenzamid [German] [ACD/IUPAC Name]
N-{(2S,3R)-4-[(1,3-Benzothiazol-6-ylsulfonyl)(cyclohexylmethyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-3-hydroxybenzamide [ACD/IUPAC Name]
N-{(2S,3R)-4-[(1,3-Benzothiazol-6-ylsulfonyl)(cyclohexylméthyl)amino]-3-hydroxy-1-phényl-2-butanyl}-3-hydroxybenzamide [French] [ACD/IUPAC Name]
N-{(2s,3r)-4-[(1,3-Benzothiazol-6-Ylsulfonyl)(Cyclohexylmethyl)amino]-3-Hydroxy-1-Phenylbutan-2-Yl}-3-Hydroxybenzamide
F72
N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(cyclohexylmethyl)amino]-2-hydroxy-1- (phenylmethyl)propyl]-3-hydroxy-benzamide (AF-72)

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: 1.650
Molar Refractivity: 162.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5795.65
ACD/KOC (pH 5.5): 17186.96
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5717.23
ACD/KOC (pH 7.4): 16954.40
Polar Surface Area: 156 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 445.9±3.0 cm3

Click to predict properties on the Chemicalize site


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