ChemSpider 2D Image | N~2~-Acetyl-N-[(1s,2r)-1-Benzyl-2-Hydroxy-3-{(2-Thienylmethyl)[(2,4,5-Trifluorophenyl)sulfonyl]amino}propyl]-L-Alaninamide | C26H28F3N3O5S2

N2-Acetyl-N-[(1s,2r)-1-Benzyl-2-Hydroxy-3-{(2-Thienylmethyl)[(2,4,5-Trifluorophenyl)sulfonyl]amino}propyl]-L-Alaninamide

  • Molecular FormulaC26H28F3N3O5S2
  • Average mass583.643 Da
  • Monoisotopic mass583.142273 Da
  • ChemSpider ID13089125

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

N2-Acetyl-N-[(1s,2r)-1-Benzyl-2-Hydroxy-3-{(2-Thienylmethyl)[(2,4,5-Trifluorophenyl)sulfonyl]amino}propyl]-L-Alaninamide
N2-Acetyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{(2-thienylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino}-2-butanyl]-L-alaninamide [ACD/IUPAC Name]
N2-Acétyl-N-[(2S,3R)-3-hydroxy-1-phényl-4-{(2-thiénylméthyl)[(2,4,5-trifluorophényl)sulfonyl]amino}-2-butanyl]-L-alaninamide [French] [ACD/IUPAC Name]
N2-Acetyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{(2-thienylmethyl)[(2,4,5-trifluorphenyl)sulfonyl]amino}-2-butanyl]-L-alaninamid [German] [ACD/IUPAC Name]
Propanamide, 2-(acetylamino)-N-[(1S,2R)-2-hydroxy-1-(phenylmethyl)-3-[(2-thienylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]propyl]-, (2S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL514175/
MZ1

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: 1.593
Molar Refractivity: 142.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 795.71
ACD/KOC (pH 5.5): 4149.15
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 795.71
ACD/KOC (pH 7.4): 4149.15
Polar Surface Area: 152 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 421.0±3.0 cm3

Click to predict properties on the Chemicalize site


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