ChemSpider 2D Image | 6-(2'-(methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one | C28H21F3N6O4S

6-(2'-(methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one

  • Molecular FormulaC28H21F3N6O4S
  • Average mass594.564 Da
  • Monoisotopic mass594.129700 Da
  • ChemSpider ID13339640

More details:

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

6-(2'-(methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
6-[2'-(Methylsulfonyl)-4-biphenylyl]-1-[3-(5-oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl]-3-(trifluormethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-on [German] [ACD/IUPAC Name]
6-[2'-(Methylsulfonyl)-4-biphenylyl]-1-[3-(5-oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one [ACD/IUPAC Name]
6-[2'-(Méthylsulfonyl)-4-biphénylyl]-1-[3-(5-oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)phényl]-3-(trifluorométhyl)-1,4,5,6-tétrahydro-7H-pyrazolo[3,4-c]pyridin-7-one [French] [ACD/IUPAC Name]
7H-Pyrazolo[3,4-c]pyridin-7-one, 1-[3-(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)phenyl]-1,4,5,6-tetrahydro-6-[2'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.706
Molar Refractivity: 147.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.75
ACD/KOC (pH 5.5): 272.21
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 11.55
ACD/KOC (pH 7.4): 177.13
Polar Surface Area: 134 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 59.4±7.0 dyne/cm
Molar Volume: 379.8±7.0 cm3

Click to predict properties on the Chemicalize site


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