ChemSpider 2D Image | 2-[3-(4-Chlorophenyl)-5-(2-furyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl 2-[(2-fluorophenyl)amino]nicotinate | C27H20ClFN4O4

2-[3-(4-Chlorophenyl)-5-(2-furyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl 2-[(2-fluorophenyl)amino]nicotinate

  • Molecular FormulaC27H20ClFN4O4
  • Average mass518.924 Da
  • Monoisotopic mass518.115723 Da
  • ChemSpider ID2894645

More details:

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

2-[(2-Fluorophényl)amino]nicotinate de 2-[3-(4-chlorophényl)-5-(2-furyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoéthyle [French] [ACD/IUPAC Name]
2-[3-(4-Chlorophenyl)-5-(2-furyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl 2-[(2-fluorophenyl)amino]nicotinate [ACD/IUPAC Name]
2-[3-(4-Chlorphenyl)-5-(2-furyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl-2-[(2-fluorphenyl)amino]nicotinat [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2-[(2-fluorophenyl)amino]-, 2-[3-(4-chlorophenyl)-5-(2-furanyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl ester [ACD/Index 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: 649.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.3±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 136.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 5.73
ACD/BCF (pH 5.5): 13265.28
ACD/KOC (pH 5.5): 31077.29
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 13285.02
ACD/KOC (pH 7.4): 31123.52
Polar Surface Area: 97 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 368.7±7.0 cm3

Click to predict properties on the Chemicalize site


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