ChemSpider 2D Image | 3-Hydroxy-N-[(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]benzamide | C28H34N2O6S

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

  • Molecular FormulaC28H34N2O6S
  • Average mass526.644 Da
  • Monoisotopic mass526.213745 Da
  • ChemSpider ID24690716

  • 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](2-Methylpropyl)amino}-1-Phenylbutan-2-Yl]benzamide
3-Hydroxy-N-[(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]benzamid [German] [ACD/IUPAC Name]
3-Hydroxy-N-[(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]benzamide [ACD/IUPAC Name]
3-Hydroxy-N-[(2S,3R)-3-hydroxy-4-{isobutyl[(4-méthoxyphényl)sulfonyl]amino}-1-phényl-2-butanyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-hydroxy-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL457782/
K83
MIT-2-KB-83 (KB-83)

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: 1.599
Molar Refractivity: 143.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1180.57
ACD/KOC (pH 5.5): 5502.75
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1164.67
ACD/KOC (pH 7.4): 5428.67
Polar Surface Area: 125 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 420.5±3.0 cm3

Click to predict properties on the Chemicalize site


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