Found 1 result

Search term: C[C@H](O)c1cn(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccc(F)cc2)N(C)S(C)(=O)=O)nn1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | N-[(1R)-1-(4-Fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-4-{4-[(1S)-1-hydroxyethyl]-1H-1,2,3-triazol-1-yl}-1-phenyl-2-butanyl]-5-[methyl(methylsulfonyl)amino]isophthalamide | C32H37FN6O6S

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

  • Molecular FormulaC32H37FN6O6S
  • Average mass652.736 Da
  • Monoisotopic mass652.247925 Da
  • ChemSpider ID35034724

  • defined stereocentres - 4 of 4 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-3-[4-[(1S)-1-hydroxyethyl]-1H-1,2,3-triazol-1-yl]-1-(phenylmethyl)propyl]-5-[methyl(methylsulfonyl)amino]- [ACD/Index Name]
N-[(1R)-1-(4-Fluorophényl)éthyl]-N'-[(2S,3S)-3-hydroxy-4-{4-[(1S)-1-hydroxyéthyl]-1H-1,2,3-triazol-1-yl}-1-phényl-2-butanyl]-5-[méthyl(méthylsulfonyl)amino]isophtalamide [French] [ACD/IUPAC Name]
N-[(1R)-1-(4-Fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-4-{4-[(1S)-1-hydroxyethyl]-1H-1,2,3-triazol-1-yl}-1-phenyl-2-butanyl]-5-[methyl(methylsulfonyl)amino]isophthalamide [ACD/IUPAC Name]
N-[(1r)-1-(4-Fluorophenyl)ethyl]-N'-[(2s,3s)-3-Hydroxy-4-{4-[(1s)-1-Hydroxyethyl]-1h-1,2,3-Triazol-1-Yl}-1-Phenylbutan-2-Yl]-5-[methyl(Methylsulfonyl)amino]benzene-1,3-Dicarboxamide
N-[(1R)-1-(4-Fluorphenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-4-{4-[(1S)-1-hydroxyethyl]-1H-1,2,3-triazol-1-yl}-1-phenyl-2-butanyl]-5-[methyl(methylsulfonyl)amino]isophthalamid [German] [ACD/IUPAC Name]
ZPZ

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 172.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.48
ACD/KOC (pH 5.5): 211.87
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.48
ACD/KOC (pH 7.4): 211.89
Polar Surface Area: 175 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 481.7±7.0 cm3

Click to predict properties on the Chemicalize site


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