ChemSpider 2D Image | Ethyl 1-{3-[(2,4-dichlorobenzyl)carbamoyl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-7-quinolinyl}-4-piperidinecarboxylate | C27H28Cl2FN3O4

Ethyl 1-{3-[(2,4-dichlorobenzyl)carbamoyl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-7-quinolinyl}-4-piperidinecarboxylate

  • Molecular FormulaC27H28Cl2FN3O4
  • Average mass548.433 Da
  • Monoisotopic mass547.144104 Da
  • ChemSpider ID24624033

More details:






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

1-{3-[(2,4-Dichlorobenzyl)carbamoyl]-1-éthyl-6-fluoro-4-oxo-1,4-dihydro-7-quinoléinyl}-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[3-[[[(2,4-dichlorophenyl)methyl]amino]carbonyl]-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-quinolinyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{3-[(2,4-dichlorobenzyl)carbamoyl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-7-quinolinyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{3-[(2,4-dichlorbenzyl)carbamoyl]-1-ethyl-6-fluor-4-oxo-1,4-dihydro-7-chinolinyl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 733.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 397.3±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 138.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2577.54
ACD/KOC (pH 5.5): 9623.33
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2576.07
ACD/KOC (pH 7.4): 9617.82
Polar Surface Area: 79 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 407.9±3.0 cm3

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