ChemSpider 2D Image | (5S)-N-{(2S,3R)-4-[(1,3-Benzothiazol-6-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide | C32H33F3N4O6S2

(5S)-N-{(2S,3R)-4-[(1,3-Benzothiazol-6-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide

  • Molecular FormulaC32H33F3N4O6S2
  • Average mass690.753 Da
  • Monoisotopic mass690.179382 Da
  • ChemSpider ID25058159

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5s)-N-{(1s,2r)-3-[(1,3-Benzothiazol-6-Ylsulfonyl)(2-Methylpropyl)amino]-1-Benzyl-2-Hydroxypropyl}-2-Oxo-3-[2-(Trifluoromethyl)phenyl]-1,3-Oxazolidine-5-Carboxamide
(5S)-N-{(2S,3R)-4-[(1,3-Benzothiazol-6-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-2-oxo-3-[2-(trifluormethyl)phenyl]-1,3-oxazolidin-5-carboxamid [German] [ACD/IUPAC Name]
(5S)-N-{(2S,3R)-4-[(1,3-Benzothiazol-6-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide [ACD/IUPAC Name]
(5S)-N-{(2S,3R)-4-[(1,3-Benzothiazol-6-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-phényl-2-butanyl}-2-oxo-3-[2-(trifluorométhyl)phényl]-1,3-oxazolidine-5-carboxamide [French] [ACD/IUPAC Name]
5-Oxazolidinecarboxamide, N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-, (5S)- [ACD/Index Name]
K54

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: 1.618
Molar Refractivity: 171.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6450.87
ACD/KOC (pH 5.5): 18557.35
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6450.84
ACD/KOC (pH 7.4): 18557.29
Polar Surface Area: 166 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 490.2±3.0 cm3

Click to predict properties on the Chemicalize site


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