ChemSpider 2D Image | Methyl 2-{5-chloro-4-[4-(2-chloro-4-fluorobenzyl)-1-piperazinyl]-6-oxo-1(6H)-pyridazinyl}benzoate | C23H21Cl2FN4O3

Methyl 2-{5-chloro-4-[4-(2-chloro-4-fluorobenzyl)-1-piperazinyl]-6-oxo-1(6H)-pyridazinyl}benzoate

  • Molecular FormulaC23H21Cl2FN4O3
  • Average mass491.342 Da
  • Monoisotopic mass490.097473 Da
  • ChemSpider ID33400186

More details:

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

2-{5-Chloro-4-[4-(2-chloro-4-fluorobenzyl)-1-pipérazinyl]-6-oxo-1(6H)-pyridazinyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[5-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-6-oxo-1(6H)-pyridazinyl]-, methyl ester [ACD/Index Name]
Methyl 2-{5-chloro-4-[4-(2-chloro-4-fluorobenzyl)-1-piperazinyl]-6-oxo-1(6H)-pyridazinyl}benzoate [ACD/IUPAC Name]
Methyl-2-{5-chlor-4-[4-(2-chlor-4-fluorbenzyl)-1-piperazinyl]-6-oxo-1(6H)-pyridazinyl}benzoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 563.8±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: 294.8±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 125.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 204.11
ACD/KOC (pH 5.5): 1301.93
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 387.08
ACD/KOC (pH 7.4): 2469.07
Polar Surface Area: 65 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 347.2±7.0 cm3

Click to predict properties on the Chemicalize site


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