ChemSpider 2D Image | N-(2,6-Difluorophenyl)-4-{3-[ethyl(methyl)amino]-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-5-fluoro-2-{[(2S)-1,1,1-trifluoro-2-propanyl]oxy}benzamide | C22H21F6N5O3

N-(2,6-Difluorophenyl)-4-{3-[ethyl(methyl)amino]-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-5-fluoro-2-{[(2S)-1,1,1-trifluoro-2-propanyl]oxy}benzamide

  • Molecular FormulaC22H21F6N5O3
  • Average mass517.424 Da
  • Monoisotopic mass517.154846 Da
  • ChemSpider ID129117045

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-(2,6-difluorophenyl)-4-[3-(ethylmethylamino)-4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-5-fluoro-2-[(1S)-2,2,2-trifluoro-1-methylethoxy]- [ACD/Index Name]
N-(2,6-Difluorophenyl)-4-{3-[ethyl(methyl)amino]-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-5-fluoro-2-{[(2S)-1,1,1-trifluoro-2-propanyl]oxy}benzamide [ACD/IUPAC Name]
N-(2,6-Difluorophényl)-4-{3-[éthyl(méthyl)amino]-4-méthyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-5-fluoro-2-{[(2S)-1,1,1-trifluoro-2-propanyl]oxy}benzamide [French] [ACD/IUPAC Name]
N-(2,6-Difluorphenyl)-4-{3-[ethyl(methyl)amino]-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-5-fluor-2-{[(2S)-1,1,1-trifluor-2-propanyl]oxy}benzamid [German] [ACD/IUPAC 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: 1.554
Molar Refractivity: 116.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 40.27
ACD/KOC (pH 5.5): 444.86
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.36
ACD/KOC (pH 7.4): 622.59
Polar Surface Area: 77 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 37.5±7.0 dyne/cm
Molar Volume: 362.9±7.0 cm3

Click to predict properties on the Chemicalize site


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