ChemSpider 2D Image | N-[(2S,3R)-4-{[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]amino}-3-hydroxy-1-phenyl-2-butanyl]-3-[(methylsulfonyl)(phenyl)amino]benzamide | C33H42N4O5S

N-[(2S,3R)-4-{[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]amino}-3-hydroxy-1-phenyl-2-butanyl]-3-[(methylsulfonyl)(phenyl)amino]benzamide

  • Molecular FormulaC33H42N4O5S
  • Average mass606.775 Da
  • Monoisotopic mass606.287598 Da
  • ChemSpider ID8591681
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

Benzamide, N-[(1S,2R)-3-[[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-[(methylsulfonyl)phenylamino]- [ACD/Index Name]
N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl)amino)-2-hydroxy-1-( phenylmethyl)propyl)-3-((methylsulfonyl)(phenyl)amino) benzamide
N-[(2S,3R)-4-{[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]amino}-3-hydroxy-1-phenyl-2-butanyl]-3-[(methylsulfonyl)(phenyl)amino]benzamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-4-{[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]amino}-3-hydroxy-1-phenyl-2-butanyl]-3-[(methylsulfonyl)(phenyl)amino]benzamide [ACD/IUPAC Name]
N-[(2S,3R)-4-{[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]amino}-3-hydroxy-1-phényl-2-butanyl]-3-[(méthylsulfonyl)(phényl)amino]benzamide [French] [ACD/IUPAC Name]
XFI

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: 1.631
Molar Refractivity: 168.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 51.13
ACD/KOC (pH 5.5): 351.93
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 282.22
ACD/KOC (pH 7.4): 1942.60
Polar Surface Area: 136 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 474.5±5.0 cm3

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