ChemSpider 2D Image | N-(3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | C26H18F4N6O4S

N-(3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

  • Molecular FormulaC26H18F4N6O4S
  • Average mass586.518 Da
  • Monoisotopic mass586.104614 Da
  • ChemSpider ID8407563

More details:






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

1H-Pyrazole-5-carboxamide, 1-[3-(2,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)- [ACD/Index Name]
N-(3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
N-[3-Fluor-2'-(methylsulfonyl)-4-biphenylyl]-1-[3-(5-oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl]-3-(trifluormethyl)-1H-pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
N-[3-Fluoro-2'-(methylsulfonyl)-4-biphenylyl]-1-[3-(5-oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide [ACD/IUPAC Name]
N-[3-Fluoro-2'-(méthylsulfonyl)-4-biphénylyl]-1-[3-(5-oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)phényl]-3-(trifluorométhyl)-1H-pyrazole-5-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.675
Molar Refractivity: 140.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.12
ACD/KOC (pH 5.5): 227.39
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 14.88
ACD/KOC (pH 7.4): 239.61
Polar Surface Area: 143 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 373.0±7.0 cm3

Click to predict properties on the Chemicalize site






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