ChemSpider 2D Image | 3-Hydroxy-N-[(2S,3R)-3-hydroxy-4-([(2S)-2-methylbutyl]{[5-(1,2-oxazol-5-yl)-2-thienyl]sulfonyl}amino)-1-phenyl-2-butanyl]benzamide | C29H33N3O6S2

3-Hydroxy-N-[(2S,3R)-3-hydroxy-4-([(2S)-2-methylbutyl]{[5-(1,2-oxazol-5-yl)-2-thienyl]sulfonyl}amino)-1-phenyl-2-butanyl]benzamide

  • Molecular FormulaC29H33N3O6S2
  • Average mass583.719 Da
  • Monoisotopic mass583.181091 Da
  • ChemSpider ID34955293

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-Hydroxy-N-[(2S,3R)-3-hydroxy-4-([(2S)-2-methylbutyl]{[5-(1,2-oxazol-5-yl)-2-thienyl]sulfonyl}amino)-1-phenyl-2-butanyl]benzamid [German] [ACD/IUPAC Name]
3-Hydroxy-N-[(2S,3R)-3-hydroxy-4-([(2S)-2-methylbutyl]{[5-(1,2-oxazol-5-yl)-2-thienyl]sulfonyl}amino)-1-phenyl-2-butanyl]benzamide [ACD/IUPAC Name]
3-Hydroxy-N-[(2S,3R)-3-hydroxy-4-([(2S)-2-méthylbutyl]{[5-(1,2-oxazol-5-yl)-2-thiényl]sulfonyl}amino)-1-phényl-2-butanyl]benzamide [French] [ACD/IUPAC Name]
3-Hydroxy-N-[(2s,3r)-3-Hydroxy-4-([(2s)-2-Methylbutyl]{[5-(1,2-Oxazol-5-Yl)thiophen-2-Yl]sulfonyl}amino)-1-Phenylbutan-2-Yl]benzamide
Benzamide, 3-hydroxy-N-[(1S,2R)-2-hydroxy-3-[[[5-(5-isoxazolyl)-2-thienyl]sulfonyl][(2S)-2-methylbutyl]amino]-1-(phenylmethyl)propyl]- [ACD/Index Name]
3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[[5-(5-isoxazolyl)-2-thienyl]sulfonyl][(2S)-2- methylbutyl]amino]-1-(phenylmethyl)propyl]-benzamide (AF-71)
F71

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: 1.616
Molar Refractivity: 155.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2592.73
ACD/KOC (pH 5.5): 9663.66
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2557.77
ACD/KOC (pH 7.4): 9533.34
Polar Surface Area: 170 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 443.8±3.0 cm3

Click to predict properties on the Chemicalize site


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