ChemSpider 2D Image | N-{(2S,3R)-4-[(1,3-Benzothiazol-6-ylsulfonyl)(3-phenylpropyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-3-hydroxybenzamide | C33H33N3O5S2

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

  • Molecular FormulaC33H33N3O5S2
  • Average mass615.762 Da
  • Monoisotopic mass615.186157 Da
  • ChemSpider ID34955292

  • 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)(3-phenylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-hydroxy- [ACD/Index Name]
N-{(2S,3R)-4-[(1,3-Benzothiazol-6-ylsulfonyl)(3-phenylpropyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-3-hydroxybenzamid [German] [ACD/IUPAC Name]
N-{(2S,3R)-4-[(1,3-Benzothiazol-6-ylsulfonyl)(3-phenylpropyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-3-hydroxybenzamide [ACD/IUPAC Name]
N-{(2S,3R)-4-[(1,3-Benzothiazol-6-ylsulfonyl)(3-phénylpropyl)amino]-3-hydroxy-1-phényl-2-butanyl}-3-hydroxybenzamide [French] [ACD/IUPAC Name]
N-{(2s,3r)-4-[(1,3-Benzothiazol-6-Ylsulfonyl)(3-Phenylpropyl)amino]-3-Hydroxy-1-Phenylbutan-2-Yl}-3-Hydroxybenzamide
A69
N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(3-phenylpropyl)amino]-2-hydroxy-1- (phenylmethyl)propyl]-3-hydroxy-benzamide (AF-69)

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: 1.671
Molar Refractivity: 170.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3072.51
ACD/KOC (pH 5.5): 10912.41
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3030.93
ACD/KOC (pH 7.4): 10764.74
Polar Surface Area: 156 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 457.2±3.0 cm3

Click to predict properties on the Chemicalize site


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