ChemSpider 2D Image | N~2~-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-{[5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-L-alaninamide | C16H20F3N5O4S

N2-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-{[5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-L-alaninamide

  • Molecular FormulaC16H20F3N5O4S
  • Average mass435.421 Da
  • Monoisotopic mass435.118805 Da
  • ChemSpider ID115228777

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N2-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-{[5-(trifluormethyl)-2-pyridinyl]amino}ethyl)-L-alaninamid [German] [ACD/IUPAC Name]
N2-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-{[5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-L-alaninamide [ACD/IUPAC Name]
N2-[(3,5-Diméthyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-{[5-(trifluorométhyl)-2-pyridinyl]amino}éthyl)-L-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-[[(3,5-dimethyl-4-isoxazolyl)sulfonyl]amino]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-, (2S)- [ACD/Index Name]

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: 1.534
Molar Refractivity: 96.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.21
ACD/KOC (pH 5.5): 141.19
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.25
ACD/KOC (pH 7.4): 102.75
Polar Surface Area: 135 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 311.5±3.0 cm3

Click to predict properties on the Chemicalize site


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