ChemSpider 2D Image | N-[(1R)-1-(4-Fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-1-phenyl-4-(1H-pyrazol-1-yl)-2-butanyl]-5-[methyl(methylsulfonyl)amino]isophthalamide | C31H34FN5O5S

N-[(1R)-1-(4-Fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-1-phenyl-4-(1H-pyrazol-1-yl)-2-butanyl]-5-[methyl(methylsulfonyl)amino]isophthalamide

  • Molecular FormulaC31H34FN5O5S
  • Average mass607.696 Da
  • Monoisotopic mass607.226440 Da
  • ChemSpider ID35034722

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,3-Benzenedicarboxamide, N1-[(1R)-1-(4-fluorophenyl)ethyl]-N3-[(1S,2S)-2-hydroxy-1-(phenylmethyl)-3-(1H-pyrazol-1-yl)propyl]-5-[methyl(methylsulfonyl)amino]- [ACD/Index Name]
N-[(1R)-1-(4-Fluorophényl)éthyl]-N'-[(2S,3S)-3-hydroxy-1-phényl-4-(1H-pyrazol-1-yl)-2-butanyl]-5-[méthyl(méthylsulfonyl)amino]isophtalamide [French] [ACD/IUPAC Name]
N-[(1R)-1-(4-Fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-1-phenyl-4-(1H-pyrazol-1-yl)-2-butanyl]-5-[methyl(methylsulfonyl)amino]isophthalamide [ACD/IUPAC Name]
N-[(1r)-1-(4-Fluorophenyl)ethyl]-N'-[(2s,3s)-3-Hydroxy-1-Phenyl-4-(1h-Pyrazol-1-Yl)butan-2-Yl]-5-[methyl(Methylsulfonyl)amino]benzene-1,3-Dicarboxamide
N-[(1R)-1-(4-Fluorphenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-1-phenyl-4-(1H-pyrazol-1-yl)-2-butanyl]-5-[methyl(methylsulfonyl)amino]isophthalamid [German] [ACD/IUPAC Name]
ZPX

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: 1.623
Molar Refractivity: 163.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 175.74
ACD/KOC (pH 5.5): 1407.51
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 175.78
ACD/KOC (pH 7.4): 1407.83
Polar Surface Area: 142 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 464.7±7.0 cm3

Click to predict properties on the Chemicalize site


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