ChemSpider 2D Image | 3-Hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino}-1-phenyl-2-butanyl]benzamide | C33H36N2O6S

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

  • Molecular FormulaC33H36N2O6S
  • Average mass588.714 Da
  • Monoisotopic mass588.229431 Da
  • ChemSpider ID34955296

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino}-1-phenyl-2-butanyl]benzamid [German] [ACD/IUPAC Name]
3-Hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino}-1-phenyl-2-butanyl]benzamide [ACD/IUPAC Name]
3-Hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-méthoxyphényl)sulfonyl](3-phénylpropyl)amino}-1-phényl-2-butanyl]benzamide [French] [ACD/IUPAC Name]
3-Hydroxy-N-[(2s,3r)-3-Hydroxy-4-{[(4-Methoxyphenyl)sulfonyl](3-Phenylpropyl)amino}-1-Phenylbutan-2-Yl]benzamide
Benzamide, 3-hydroxy-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino]-1-(phenylmethyl)propyl]- [ACD/Index Name]
3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino]- 1-(phenylmethyl)propyl]-benzamide (AF-78)
F78

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: 1.623
Molar Refractivity: 163.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.47
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 10639.40
ACD/KOC (pH 5.5): 26548.20
ACD/LogD (pH 7.4): 5.59
ACD/BCF (pH 7.4): 10496.17
ACD/KOC (pH 7.4): 26190.81
Polar Surface Area: 125 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 464.3±3.0 cm3

Click to predict properties on the Chemicalize site


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