ChemSpider 2D Image | N-[(1s,2r)-1-Benzyl-2-Hydroxy-3-{[(3-Methoxyphenyl)sulfonyl](2-Thienylmethyl)amino}propyl]-3,4-Dihydroxybenzamide | C29H30N2O7S2

N-[(1s,2r)-1-Benzyl-2-Hydroxy-3-{[(3-Methoxyphenyl)sulfonyl](2-Thienylmethyl)amino}propyl]-3,4-Dihydroxybenzamide

  • Molecular FormulaC29H30N2O7S2
  • Average mass582.688 Da
  • Monoisotopic mass582.149414 Da
  • ChemSpider ID13089236

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3,4-Dihydroxy-N-[(2S,3R)-3-hydroxy-4-{[(3-methoxyphenyl)sulfonyl](2-thienylmethyl)amino}-1-phenyl-2-butanyl]benzamid [German] [ACD/IUPAC Name]
3,4-Dihydroxy-N-[(2S,3R)-3-hydroxy-4-{[(3-methoxyphenyl)sulfonyl](2-thienylmethyl)amino}-1-phenyl-2-butanyl]benzamide [ACD/IUPAC Name]
3,4-Dihydroxy-N-[(2S,3R)-3-hydroxy-4-{[(3-méthoxyphényl)sulfonyl](2-thiénylméthyl)amino}-1-phényl-2-butanyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-3-[[(3-methoxyphenyl)sulfonyl](2-thienylmethyl)amino]-1-(phenylmethyl)propyl]- [ACD/Index Name]
N-[(1s,2r)-1-Benzyl-2-Hydroxy-3-{[(3-Methoxyphenyl)sulfonyl](2-Thienylmethyl)amino}propyl]-3,4-Dihydroxybenzamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL472844/
MZ4

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: 1.657
Molar Refractivity: 154.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3436.33
ACD/KOC (pH 5.5): 11814.62
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 2869.49
ACD/KOC (pH 7.4): 9865.73
Polar Surface Area: 173 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 65.3±3.0 dyne/cm
Molar Volume: 419.2±3.0 cm3

Click to predict properties on the Chemicalize site


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