ChemSpider 2D Image | 1-(4-Fluorophenyl)-4-isopropyl-7-(2-propyn-1-ylsulfanyl)-1H-pyrazolo[3,4-d]pyridazine | C17H15FN4S

1-(4-Fluorophenyl)-4-isopropyl-7-(2-propyn-1-ylsulfanyl)-1H-pyrazolo[3,4-d]pyridazine

  • Molecular FormulaC17H15FN4S
  • Average mass326.391 Da
  • Monoisotopic mass326.100159 Da
  • ChemSpider ID26290110

More details:

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

1-(4-Fluorophenyl)-4-isopropyl-7-(2-propyn-1-ylsulfanyl)-1H-pyrazolo[3,4-d]pyridazine [ACD/IUPAC Name]
1-(4-Fluorophényl)-4-isopropyl-7-(2-propyn-1-ylsulfanyl)-1H-pyrazolo[3,4-d]pyridazine [French] [ACD/IUPAC Name]
1-(4-Fluorphenyl)-4-isopropyl-7-(2-propin-1-ylsulfanyl)-1H-pyrazolo[3,4-d]pyridazin [German] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d]pyridazine, 1-(4-fluorophenyl)-4-(1-methylethyl)-7-(2-propyn-1-ylthio)- [ACD/Index Name]
1-(4-fluorophenyl)-4-isopropyl-7-(prop-2-yn-1-ylthio)-1H-pyrazolo[3,4-d]pyridazine
1-(4-fluorophenyl)-7-(prop-2-yn-1-ylsulfanyl)-4-(propan-2-yl)-1H-pyrazolo[3,4-d]pyridazine
1171421-24-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 454.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 228.4±28.7 °C
Index of Refraction: 1.637
Molar Refractivity: 93.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 238.62
ACD/KOC (pH 5.5): 1751.40
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 238.99
ACD/KOC (pH 7.4): 1754.06
Polar Surface Area: 69 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 260.4±7.0 cm3

Click to predict properties on the Chemicalize site


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