ChemSpider 2D Image | (4-Fluorophenyl)(4-{[1-(2-fluorophenyl)-6-methyl-4-oxo-1,4-dihydro-3-pyridazinyl]carbonyl}-1-piperazinyl)acetonitrile | C24H21F2N5O2

(4-Fluorophenyl)(4-{[1-(2-fluorophenyl)-6-methyl-4-oxo-1,4-dihydro-3-pyridazinyl]carbonyl}-1-piperazinyl)acetonitrile

  • Molecular FormulaC24H21F2N5O2
  • Average mass449.453 Da
  • Monoisotopic mass449.166321 Da
  • ChemSpider ID22380295

More details:

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

(4-Fluorophenyl)(4-{[1-(2-fluorophenyl)-6-methyl-4-oxo-1,4-dihydro-3-pyridazinyl]carbonyl}-1-piperazinyl)acetonitrile [ACD/IUPAC Name]
(4-Fluorophényl)(4-{[1-(2-fluorophényl)-6-méthyl-4-oxo-1,4-dihydro-3-pyridazinyl]carbonyl}-1-pipérazinyl)acétonitrile [French] [ACD/IUPAC Name]
(4-Fluorphenyl)(4-{[1-(2-fluorphenyl)-6-methyl-4-oxo-1,4-dihydro-3-pyridazinyl]carbonyl}-1-piperazinyl)acetonitril [German] [ACD/IUPAC Name]
1-Piperazineacetonitrile, α-(4-fluorophenyl)-4-[[1-(2-fluorophenyl)-1,4-dihydro-6-methyl-4-oxo-3-pyridazinyl]carbonyl]- [ACD/Index Name]
2-(4-FLUOROPHENYL)-2-{4-[1-(2-FLUOROPHENYL)-6-METHYL-4-OXOPYRIDAZINE-3-CARBONYL]PIPERAZIN-1-YL}ACETONITRILE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 563.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.5±32.9 °C
Index of Refraction: 1.636
Molar Refractivity: 121.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.18
ACD/KOC (pH 5.5): 288.27
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.20
ACD/KOC (pH 7.4): 288.59
Polar Surface Area: 80 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 337.9±7.0 cm3

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