ChemSpider 2D Image | (2S)-2-Benzyl-3-{[(2R)-2-{3-fluoro-4-[(methylsulfonyl)amino]phenyl}propanoyl]amino}propyl pivalate | C25H33FN2O5S

(2S)-2-Benzyl-3-{[(2R)-2-{3-fluoro-4-[(methylsulfonyl)amino]phenyl}propanoyl]amino}propyl pivalate

  • Molecular FormulaC25H33FN2O5S
  • Average mass492.603 Da
  • Monoisotopic mass492.209412 Da
  • ChemSpider ID23309867

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-Benzyl-3-{[(2R)-2-{3-fluor-4-[(methylsulfonyl)amino]phenyl}propanoyl]amino}propylpivalat [German] [ACD/IUPAC Name]
(2S)-2-benzyl-3-{[(2R)-2-{3-fluoro-4-[(methylsulfonyl)amino]phenyl}propanoyl]amino}propyl 2,2-dimethylpropanoate
(2S)-2-Benzyl-3-{[(2R)-2-{3-fluoro-4-[(methylsulfonyl)amino]phenyl}propanoyl]amino}propyl pivalate [ACD/IUPAC Name]
Pivalate de (2S)-2-benzyl-3-{[(2R)-2-{3-fluoro-4-[(méthylsulfonyl)amino]phényl}propanoyl]amino}propyle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, (2S)-3-[[(2R)-2-[3-fluoro-4-[(methylsulfonyl)amino]phenyl]-1-oxopropyl]amino]-2-(phenylmethyl)propyl ester [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL402928/
N-[(2S)-2-benzyl-3-(pivaloyloxy)propyl]-(2R)-2-[3-fluoro-4-(methylsulfonylamino)phenyl]propionamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.557
Molar Refractivity: 129.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 819.33
ACD/KOC (pH 5.5): 4232.91
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 648.84
ACD/KOC (pH 7.4): 3352.11
Polar Surface Area: 110 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 403.3±3.0 cm3

Click to predict properties on the Chemicalize site


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