ChemSpider 2D Image | Ethyl 4-{1-cyclopropyl-3-[(2,4-dichlorobenzyl)carbamoyl]-6-fluoro-4-oxo-1,4-dihydro-7-quinolinyl}-1-piperazinecarboxylate | C27H27Cl2FN4O4

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

  • Molecular FormulaC27H27Cl2FN4O4
  • Average mass561.432 Da
  • Monoisotopic mass560.139343 Da
  • ChemSpider ID24618777

More details:






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

1-Piperazinecarboxylic acid, 4-[1-cyclopropyl-3-[[[(2,4-dichlorophenyl)methyl]amino]carbonyl]-6-fluoro-1,4-dihydro-4-oxo-7-quinolinyl]-, ethyl ester [ACD/Index Name]
4-{1-Cyclopropyl-3-[(2,4-dichlorobenzyl)carbamoyl]-6-fluoro-4-oxo-1,4-dihydro-7-quinoléinyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{1-cyclopropyl-3-[(2,4-dichlorobenzyl)carbamoyl]-6-fluoro-4-oxo-1,4-dihydro-7-quinolinyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{1-cyclopropyl-3-[(2,4-dichlorbenzyl)carbamoyl]-6-fluor-4-oxo-1,4-dihydro-7-chinolinyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 771.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 420.3±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 140.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 373.67
ACD/KOC (pH 5.5): 2415.38
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 373.54
ACD/KOC (pH 7.4): 2414.56
Polar Surface Area: 82 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 388.3±3.0 cm3

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