ChemSpider 2D Image | 2-{[4-(4-Fluorophenyl)-1-piperazinyl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one | C20H25FN4O

2-{[4-(4-Fluorophenyl)-1-piperazinyl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one

  • Molecular FormulaC20H25FN4O
  • Average mass356.437 Da
  • Monoisotopic mass356.201233 Da
  • ChemSpider ID31100438

More details:






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

2-{[4-(4-Fluorophenyl)-1-piperazinyl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one [ACD/IUPAC Name]
2-{[4-(4-Fluorophényl)-1-pipérazinyl]méthyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one [French] [ACD/IUPAC Name]
2-{[4-(4-Fluorphenyl)-1-piperazinyl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-on [German] [ACD/IUPAC Name]
3H-Cyclohepta[c]pyridazin-3-one, 2-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-2,5,6,7,8,9-hexahydro- [ACD/Index Name]
1401534-23-3 [RN]
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-3-one
2-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-2,5,6,7,8,9-hexahydro-cyclohepta[c]pyridazin-3-one
2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
AGN-PC-0DAX0N
C20H25FN4O
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 521.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 269.3±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 100.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 4.24
ACD/KOC (pH 5.5): 58.75
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.00
ACD/KOC (pH 7.4): 332.62
Polar Surface Area: 39 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 277.7±7.0 cm3

Click to predict properties on the Chemicalize site






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