ChemSpider 2D Image | Ethyl 4-{[4-chloro-1-(3-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]carbonyl}-1-piperazinecarboxylate | C23H21Cl2FN4O3

Ethyl 4-{[4-chloro-1-(3-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]carbonyl}-1-piperazinecarboxylate

  • Molecular FormulaC23H21Cl2FN4O3
  • Average mass491.342 Da
  • Monoisotopic mass490.097473 Da
  • ChemSpider ID67552513

More details:

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

1-Piperazinecarboxylic acid, 4-[[4-chloro-1-(3-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]carbonyl]-, ethyl ester [ACD/Index Name]
4-{[4-Chloro-1-(3-chlorophényl)-5-(4-fluorophényl)-1H-pyrazol-3-yl]carbonyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[4-chloro-1-(3-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]carbonyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{[4-chlor-1-(3-chlorphenyl)-5-(4-fluorphenyl)-1H-pyrazol-3-yl]carbonyl}-1-piperazincarboxylat [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: 652.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.4±31.5 °C
Index of Refraction: 1.641
Molar Refractivity: 125.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1331.89
ACD/KOC (pH 5.5): 5999.19
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1331.89
ACD/KOC (pH 7.4): 5999.20
Polar Surface Area: 68 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


Advertisement