ChemSpider 2D Image | 1-(4-Fluorophenyl)-5-(5-fluoro-2-pyrazinyl)-7,7-dimethyl-1,4,5,6,7,8-hexahydropyrazolo[4,3-c]azepine | C19H19F2N5

1-(4-Fluorophenyl)-5-(5-fluoro-2-pyrazinyl)-7,7-dimethyl-1,4,5,6,7,8-hexahydropyrazolo[4,3-c]azepine

  • Molecular FormulaC19H19F2N5
  • Average mass355.384 Da
  • Monoisotopic mass355.160858 Da
  • ChemSpider ID71300708

More details:

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

1-(4-Fluorophenyl)-5-(5-fluoro-2-pyrazinyl)-7,7-dimethyl-1,4,5,6,7,8-hexahydropyrazolo[4,3-c]azepine [ACD/IUPAC Name]
1-(4-Fluorophényl)-5-(5-fluoro-2-pyrazinyl)-7,7-diméthyl-1,4,5,6,7,8-hexahydropyrazolo[4,3-c]azépine [French] [ACD/IUPAC Name]
1-(4-Fluorphenyl)-5-(5-fluor-2-pyrazinyl)-7,7-dimethyl-1,4,5,6,7,8-hexahydropyrazolo[4,3-c]azepin [German] [ACD/IUPAC Name]
Pyrazolo[4,3-c]azepine, 1-(4-fluorophenyl)-5-(5-fluoro-2-pyrazinyl)-1,4,5,6,7,8-hexahydro-7,7-dimethyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 500.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.7±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 96.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 449.26
ACD/KOC (pH 5.5): 2755.84
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 449.27
ACD/KOC (pH 7.4): 2755.93
Polar Surface Area: 47 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 269.5±7.0 cm3

Click to predict properties on the Chemicalize site


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