ChemSpider 2D Image | N-[(2S,3R)-4-{(Cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]-3-hydroxybenzamide | C31H38N2O6S

N-[(2S,3R)-4-{(Cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]-3-hydroxybenzamide

  • Molecular FormulaC31H38N2O6S
  • Average mass566.708 Da
  • Monoisotopic mass566.245056 Da
  • ChemSpider ID34955295
  • 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-[(cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-hydroxy- [ACD/Index Name]
N-[(2S,3R)-4-{(Cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]-3-hydroxybenzamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-4-{(Cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]-3-hydroxybenzamide [ACD/IUPAC Name]
N-[(2S,3R)-4-{(Cyclohexylméthyl)[(4-méthoxyphényl)sulfonyl]amino}-3-hydroxy-1-phényl-2-butanyl]-3-hydroxybenzamide [French] [ACD/IUPAC Name]
N-[(2s,3r)-4-{(Cyclohexylmethyl)[(4-Methoxyphenyl)sulfonyl]amino}-3-Hydroxy-1-Phenylbutan-2-Yl]-3-Hydroxybenzamide
77F
N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino]-2-hydroxy-1- (phenylmethyl)propyl]-3-hydroxy-benzamide (AF-77)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.603
Molar Refractivity: 155.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.39
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 12289.73
ACD/KOC (pH 5.5): 29434.83
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12124.30
ACD/KOC (pH 7.4): 29038.62
Polar Surface Area: 125 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 453.1±3.0 cm3

Click to predict properties on the Chemicalize site






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