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

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

  • Molecular FormulaC27H20ClFN4O4
  • Average mass518.924 Da
  • Monoisotopic mass518.115723 Da
  • ChemSpider ID1573445

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(2-Fluorophényl)amino]nicotinate de 2-[(5R)-3-(4-chlorophényl)-5-(2-furyl)-2,5-dihydro-1H-pyrazol-1-yl]-2-oxoéthyle [French] [ACD/IUPAC Name]
2-[(5R)-3-(4-Chlorophenyl)-5-(2-furyl)-2,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl 2-[(2-fluorophenyl)amino]nicotinate [ACD/IUPAC Name]
2-[(5R)-3-(4-Chlorphenyl)-5-(2-furyl)-2,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl-2-[(2-fluorphenyl)amino]nicotinat [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2-[(2-fluorophenyl)amino]-, 2-[(5R)-3-(4-chlorophenyl)-5-(2-furanyl)-2,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl ester [ACD/Index Name]

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

ZINC02636480 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 657.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.5±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 134.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.39
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 18461.68
ACD/KOC (pH 5.5): 39373.27
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 18488.59
ACD/KOC (pH 7.4): 39430.68
Polar Surface Area: 97 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 367.2±3.0 cm3

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