ChemSpider 2D Image | N-(Cyanomethyl)-4-fluoro-N~2~-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-4-biphenylyl]ethyl}-L-leucinamide | C23H25F4N3O3S

N-(Cyanomethyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-4-biphenylyl]ethyl}-L-leucinamide

  • Molecular FormulaC23H25F4N3O3S
  • Average mass499.522 Da
  • Monoisotopic mass499.155273 Da
  • ChemSpider ID26368099

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

N-(Cyanmethyl)-4-fluor-N2-{(1S)-2,2,2-trifluor-1-[4'-(methylsulfonyl)-4-biphenylyl]ethyl}-L-leucinamid [German] [ACD/IUPAC Name]
N-(Cyanomethyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-4-biphenylyl]ethyl}-L-leucinamide [ACD/IUPAC Name]
N-(Cyanométhyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(méthylsulfonyl)-4-biphénylyl]éthyl}-L-leucinamide [French] [ACD/IUPAC Name]
Pentanamide, N-(cyanomethyl)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl]amino]-, (2S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 651.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.9±31.5 °C
Index of Refraction: 1.518
Molar Refractivity: 119.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 93.75
ACD/KOC (pH 5.5): 897.71
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 93.75
ACD/KOC (pH 7.4): 897.73
Polar Surface Area: 107 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 392.5±3.0 cm3

Click to predict properties on the Chemicalize site


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