ChemSpider 2D Image | 2-[(2-Cyanoethyl)(4-fluorophenyl)amino]-2-oxoethyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-1H-pyrazole-4-carboxylate | C28H22F2N4O4

2-[(2-Cyanoethyl)(4-fluorophenyl)amino]-2-oxoethyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC28H22F2N4O4
  • Average mass516.495 Da
  • Monoisotopic mass516.160889 Da
  • ChemSpider ID11774551

More details:

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

1-(4-Fluorophényl)-3-(3-méthoxyphényl)-1H-pyrazole-4-carboxylate de 2-[(2-cyanoéthyl)(4-fluorophényl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-, 2-[(2-cyanoethyl)(4-fluorophenyl)amino]-2-oxoethyl ester [ACD/Index Name]
2-[(2-Cyanethyl)(4-fluorphenyl)amino]-2-oxoethyl-1-(4-fluorphenyl)-3-(3-methoxyphenyl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
2-[(2-Cyanoethyl)(4-fluorophenyl)amino]-2-oxoethyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 724.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 391.8±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 138.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1241.44
ACD/KOC (pH 5.5): 5704.66
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1241.44
ACD/KOC (pH 7.4): 5704.68
Polar Surface Area: 97 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 404.2±7.0 cm3

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