ChemSpider 2D Image | 4-Chlorobenzyl 6-fluoro-7-(4-methyl-1-piperazinyl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylate | C30H29ClFN3O5S

4-Chlorobenzyl 6-fluoro-7-(4-methyl-1-piperazinyl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylate

  • Molecular FormulaC30H29ClFN3O5S
  • Average mass598.085 Da
  • Monoisotopic mass597.150024 Da
  • ChemSpider ID25057374

More details:






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

3-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-1-[[4-(methylsulfonyl)phenyl]methyl]-4-oxo-, (4-chlorophenyl)methyl ester [ACD/Index Name]
4-Chlorbenzyl-6-fluor-7-(4-methyl-1-piperazinyl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
4-Chlorobenzyl 6-fluoro-7-(4-methyl-1-piperazinyl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylate [ACD/IUPAC Name]
4-Chlorobenzyl 6-Fluoro-7-(4-Methylpiperazin-1-Yl)-1-[4-(Methylsulfonyl)benzyl]-4-Oxo-1,4-Dihydroquinoline-3-Carboxylate
6-Fluoro-7-(4-méthyl-1-pipérazinyl)-1-[4-(méthylsulfonyl)benzyl]-4-oxo-1,4-dihydro-3-quinoléinecarboxylate de 4-chlorobenzyle [French] [ACD/IUPAC Name]
C9A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 788.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 430.4±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 154.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 6.44
ACD/KOC (pH 5.5): 45.15
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 180.53
ACD/KOC (pH 7.4): 1265.84
Polar Surface Area: 96 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 433.0±3.0 cm3

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