ChemSpider 2D Image | (2e)-N-[(1s,2r)-1-Benzyl-2-Hydroxy-3-{(2-Thienylmethyl)[(2,4,5-Trifluorophenyl)sulfonyl]amino}propyl]-4,4,4-Trifluoro-3-Methylbut-2-Enamide | C26H24F6N2O4S2

(2e)-N-[(1s,2r)-1-Benzyl-2-Hydroxy-3-{(2-Thienylmethyl)[(2,4,5-Trifluorophenyl)sulfonyl]amino}propyl]-4,4,4-Trifluoro-3-Methylbut-2-Enamide

  • Molecular FormulaC26H24F6N2O4S2
  • Average mass606.600 Da
  • Monoisotopic mass606.108154 Da
  • ChemSpider ID25059962
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2E)-4,4,4-Trifluor-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{(2-thienylmethyl)[(2,4,5-trifluorphenyl)sulfonyl]amino}-2-butanyl]-3-methyl-2-butenamid [German] [ACD/IUPAC Name]
(2E)-4,4,4-Trifluoro-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{(2-thienylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino}-2-butanyl]-3-methyl-2-butenamide [ACD/IUPAC Name]
(2E)-4,4,4-Trifluoro-N-[(2S,3R)-3-hydroxy-1-phényl-4-{(2-thiénylméthyl)[(2,4,5-trifluorophényl)sulfonyl]amino}-2-butanyl]-3-méthyl-2-buténamide [French] [ACD/IUPAC Name]
(2e)-N-[(1s,2r)-1-Benzyl-2-Hydroxy-3-{(2-Thienylmethyl)[(2,4,5-Trifluorophenyl)sulfonyl]amino}propyl]-4,4,4-Trifluoro-3-Methylbut-2-Enamide
2-Butenamide, 4,4,4-trifluoro-N-[(1S,2R)-2-hydroxy-1-(phenylmethyl)-3-[(2-thienylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]propyl]-3-methyl-, (2E)- [ACD/Index Name]
MZ2

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.568
Molar Refractivity: 139.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.00
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 7909.34
ACD/KOC (pH 5.5): 21472.35
ACD/LogD (pH 7.4): 5.43
ACD/BCF (pH 7.4): 7909.21
ACD/KOC (pH 7.4): 21472.00
Polar Surface Area: 123 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 424.5±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement