ChemSpider 2D Image | 3-Hydroxy-N-[(2S,3R)-3-hydroxy-4-(isobutyl{[5-(1,2-oxazol-5-yl)-2-thienyl]sulfonyl}amino)-1-phenyl-2-butanyl]benzamide | C28H31N3O6S2

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

  • Molecular FormulaC28H31N3O6S2
  • Average mass569.692 Da
  • Monoisotopic mass569.165405 Da
  • ChemSpider ID34955297
  • 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-(isobutyl{[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-(isobutyl{[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-(isobutyl{[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-[(2-Methylpropyl){[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](2-methylpropyl)amino]-1-(phenylmethyl)propyl]- [ACD/Index Name]
3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[[5-(5-isoxazolyl)-2-thienyl]sulfonyl](2- methylbutyl)amino]-1-(phenylmethyl)propyl]-benzamide (AF-80)
AF8

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: 1.622
Molar Refractivity: 150.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 889.89
ACD/KOC (pH 5.5): 4494.83
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 877.88
ACD/KOC (pH 7.4): 4434.19
Polar Surface Area: 170 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 427.3±3.0 cm3

Click to predict properties on the Chemicalize site






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