ChemSpider 2D Image | 6-({3-[4-(4-Fluorophenyl)-1-piperazinyl]-1-piperidinyl}carbonyl)-2-methyl-3(2H)-pyridazinone | C21H26FN5O2

6-({3-[4-(4-Fluorophenyl)-1-piperazinyl]-1-piperidinyl}carbonyl)-2-methyl-3(2H)-pyridazinone

  • Molecular FormulaC21H26FN5O2
  • Average mass399.462 Da
  • Monoisotopic mass399.207062 Da
  • ChemSpider ID22160264

More details:

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

3(2H)-Pyridazinone, 6-[[3-[4-(4-fluorophenyl)-1-piperazinyl]-1-piperidinyl]carbonyl]-2-methyl- [ACD/Index Name]
6-({3-[4-(4-Fluorophenyl)-1-piperazinyl]-1-piperidinyl}carbonyl)-2-methyl-3(2H)-pyridazinone [ACD/IUPAC Name]
6-({3-[4-(4-Fluorophényl)-1-pipérazinyl]-1-pipéridinyl}carbonyl)-2-méthyl-3(2H)-pyridazinone [French] [ACD/IUPAC Name]
6-({3-[4-(4-Fluorphenyl)-1-piperazinyl]-1-piperidinyl}carbonyl)-2-methyl-3(2H)-pyridazinon [German] [ACD/IUPAC Name]
6-{3-[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]PIPERIDINE-1-CARBONYL}-2-METHYLPYRIDAZIN-3-ONE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 548.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.6±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 109.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.20
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.71
Polar Surface Area: 59 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 300.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement