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Search term: WQTPGRVDJMZMSU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (5S)-N-{(2S,3R)-3-Hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(isobutyl)amino]-1-phenyl-2-butanyl}-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide | C32H36F3N3O7S

(5S)-N-{(2S,3R)-3-Hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(isobutyl)amino]-1-phenyl-2-butanyl}-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide

  • Molecular FormulaC32H36F3N3O7S
  • Average mass663.704 Da
  • Monoisotopic mass663.222595 Da
  • ChemSpider ID13136691

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5S)-N-{(2S,3R)-3-Hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(isobutyl)amino]-1-phenyl-2-butanyl}-2-oxo-3-[3-(trifluormethyl)phenyl]-1,3-oxazolidin-5-carboxamid [German] [ACD/IUPAC Name]
(5S)-N-{(2S,3R)-3-Hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(isobutyl)amino]-1-phenyl-2-butanyl}-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide [ACD/IUPAC Name]
(5S)-N-{(2S,3R)-3-Hydroxy-4-[{[4-(hydroxyméthyl)phényl]sulfonyl}(isobutyl)amino]-1-phényl-2-butanyl}-2-oxo-3-[3-(trifluorométhyl)phényl]-1,3-oxazolidine-5-carboxamide [French] [ACD/IUPAC Name]
5-Oxazolidinecarboxamide, N-[(1S,2R)-2-hydroxy-3-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-, (5S)- [ACD/Index Name]

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: 1.590
Molar Refractivity: 164.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1143.58
ACD/KOC (pH 5.5): 5379.08
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1143.58
ACD/KOC (pH 7.4): 5379.05
Polar Surface Area: 145 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 487.2±3.0 cm3

Click to predict properties on the Chemicalize site


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