ChemSpider 2D Image | N-[(1s,2r)-1-Benzyl-2-Hydroxy-3-{[(3-Methoxyphenyl)sulfonyl](2-Thienylmethyl)amino}propyl]-3-Fluoro-2-Methylbenzamide | C30H31FN2O5S2

N-[(1s,2r)-1-Benzyl-2-Hydroxy-3-{[(3-Methoxyphenyl)sulfonyl](2-Thienylmethyl)amino}propyl]-3-Fluoro-2-Methylbenzamide

  • Molecular FormulaC30H31FN2O5S2
  • Average mass582.706 Da
  • Monoisotopic mass582.165833 Da
  • ChemSpider ID13089234

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Fluor-N-[(2S,3R)-3-hydroxy-4-{[(3-methoxyphenyl)sulfonyl](2-thienylmethyl)amino}-1-phenyl-2-butanyl]-2-methylbenzamid [German] [ACD/IUPAC Name]
3-Fluoro-N-[(2S,3R)-3-hydroxy-4-{[(3-methoxyphenyl)sulfonyl](2-thienylmethyl)amino}-1-phenyl-2-butanyl]-2-methylbenzamide [ACD/IUPAC Name]
3-Fluoro-N-[(2S,3R)-3-hydroxy-4-{[(3-méthoxyphényl)sulfonyl](2-thiénylméthyl)amino}-1-phényl-2-butanyl]-2-méthylbenzamide [French] [ACD/IUPAC Name]
Benzamide, 3-fluoro-N-[(1S,2R)-2-hydroxy-3-[[(3-methoxyphenyl)sulfonyl](2-thienylmethyl)amino]-1-(phenylmethyl)propyl]-2-methyl- [ACD/Index Name]
N-[(1s,2r)-1-Benzyl-2-Hydroxy-3-{[(3-Methoxyphenyl)sulfonyl](2-Thienylmethyl)amino}propyl]-3-Fluoro-2-Methylbenzamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL475279/
MZ3

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: 1.622
Molar Refractivity: 155.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.45
ACD/LogD (pH 5.5): 6.17
ACD/BCF (pH 5.5): 28914.73
ACD/KOC (pH 5.5): 54306.74
ACD/LogD (pH 7.4): 6.17
ACD/BCF (pH 7.4): 28914.67
ACD/KOC (pH 7.4): 54306.62
Polar Surface Area: 133 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 442.9±3.0 cm3

Click to predict properties on the Chemicalize site


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