ChemSpider 2D Image | N-[(2S,3R)-3-Hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2R)-2-methylbutyl]amino}-1-phenyl-2-butanyl]-4-oxohexanamide | C28H40N2O6S

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

  • Molecular FormulaC28H40N2O6S
  • Average mass532.692 Da
  • Monoisotopic mass532.260681 Da
  • ChemSpider ID24715271

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Hexanamide, N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][(2R)-2-methylbutyl]amino]-1-(phenylmethyl)propyl]-4-oxo- [ACD/Index Name]
N-[(2S,3R)-3-Hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2R)-2-methylbutyl]amino}-1-phenyl-2-butanyl]-4-oxohexanamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-3-Hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2R)-2-methylbutyl]amino}-1-phenyl-2-butanyl]-4-oxohexanamide [ACD/IUPAC Name]
N-[(2S,3R)-3-Hydroxy-4-{[(4-méthoxyphényl)sulfonyl][(2R)-2-méthylbutyl]amino}-1-phényl-2-butanyl]-4-oxohexanamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL514288/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.550
Molar Refractivity: 145.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 424.01
ACD/KOC (pH 5.5): 2644.12
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 424.01
ACD/KOC (pH 7.4): 2644.12
Polar Surface Area: 121 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 456.0±3.0 cm3

Click to predict properties on the Chemicalize site


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