ChemSpider 2D Image | 5-[(2-Fluorophenyl)sulfonyl]-1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine | C17H19FN6O2S2

5-[(2-Fluorophenyl)sulfonyl]-1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

  • Molecular FormulaC17H19FN6O2S2
  • Average mass422.500 Da
  • Monoisotopic mass422.099487 Da
  • ChemSpider ID21777210

More details:

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

1H-Pyrazolo[4,3-c]pyridine, 5-[(2-fluorophenyl)sulfonyl]-4,5,6,7-tetrahydro-1-methyl-3-[4-methyl-5-(methylthio)-4H-1,2,4-triazol-3-yl]- [ACD/Index Name]
5-[(2-Fluorophenyl)sulfonyl]-1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine [ACD/IUPAC Name]
5-[(2-Fluorophényl)sulfonyl]-1-méthyl-3-[4-méthyl-5-(méthylsulfanyl)-4H-1,2,4-triazol-3-yl]-4,5,6,7-tétrahydro-1H-pyrazolo[4,3-c]pyridine [French] [ACD/IUPAC Name]
5-[(2-Fluorphenyl)sulfonyl]-1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin [German] [ACD/IUPAC Name]
2-fluorophenyl {1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl} sulfone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 682.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.3±34.3 °C
Index of Refraction: 1.724
Molar Refractivity: 108.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 45.37
ACD/KOC (pH 5.5): 534.01
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 45.37
ACD/KOC (pH 7.4): 534.02
Polar Surface Area: 120 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 273.7±7.0 cm3

Click to predict properties on the Chemicalize site


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