ChemSpider 2D Image | (5S)-3-(3-Acetylphenyl)-N-{(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-2-oxo-1,3-oxazolidine-5-carboxamide | C33H37N3O9S

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

  • Molecular FormulaC33H37N3O9S
  • Average mass651.727 Da
  • Monoisotopic mass651.225037 Da
  • ChemSpider ID17237233

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5s)-3-(3-Acetylphenyl)-N-[(1s,2r)-3-[(1,3-Benzodioxol-5-Ylsulfonyl)(2-Methylpropyl)amino]-2-Hydroxy-1-(Phenylmethyl)propyl]-2-Oxo-5-Oxazolidinecarboxamide
(5S)-3-(3-acetylphenyl)-N-{(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-2-oxo-1,3-oxazolidine-5-carboxamide
(5S)-3-(3-Acetylphenyl)-N-{(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-2-oxo-1,3-oxazolidin-5-carboxamid [German] [ACD/IUPAC Name]
(5S)-3-(3-Acetylphenyl)-N-{(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-2-oxo-1,3-oxazolidine-5-carboxamide [ACD/IUPAC Name]
(5S)-3-(3-Acétylphényl)-N-{(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-phényl-2-butanyl}-2-oxo-1,3-oxazolidine-5-carboxamide [French] [ACD/IUPAC Name]
5-Oxazolidinecarboxamide, 3-(3-acetylphenyl)-N-[(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-, (5S)- [ACD/Index Name]
(5S)-3-(3-acetylphenyl)-N-[(1S,2R)-3-[[(benzo[1,3]dioxole-5-sulfonyl)](isobutyl)amino]-1-benzyl-2-hydroxypropyl]-2-oxooxazolidine-5-carboxamide
K62
N-Aryl-oxazolidinone-5-carboxamide Analogue 26e

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: 1.617
Molar Refractivity: 168.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 821.45
ACD/KOC (pH 5.5): 4244.80
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 821.44
ACD/KOC (pH 7.4): 4244.78
Polar Surface Area: 160 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 482.6±3.0 cm3

Click to predict properties on the Chemicalize site


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