ChemSpider 2D Image | Methyl 7-fluoro-3-{4-[(2-hydroxyethyl)sulfonyl]benzyl}-4-oxo-1-phenyl-1,4-dihydro-2-quinolinecarboxylate | C26H22FNO6S

Methyl 7-fluoro-3-{4-[(2-hydroxyethyl)sulfonyl]benzyl}-4-oxo-1-phenyl-1,4-dihydro-2-quinolinecarboxylate

  • Molecular FormulaC26H22FNO6S
  • Average mass495.519 Da
  • Monoisotopic mass495.115173 Da
  • ChemSpider ID28644896

More details:

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

2-Quinolinecarboxylic acid, 7-fluoro-1,4-dihydro-3-[[4-[(2-hydroxyethyl)sulfonyl]phenyl]methyl]-4-oxo-1-phenyl-, methyl ester [ACD/Index Name]
7-Fluoro-3-{4-[(2-hydroxyéthyl)sulfonyl]benzyl}-4-oxo-1-phényl-1,4-dihydro-2-quinoléinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 7-fluoro-3-{4-[(2-hydroxyethyl)sulfonyl]benzyl}-4-oxo-1-phenyl-1,4-dihydro-2-quinolinecarboxylate [ACD/IUPAC Name]
Methyl 7-Fluoro-3-{4-[(2-Hydroxyethyl)sulfonyl]benzyl}-4-Oxo-1-Phenyl-1,4-Dihydroquinoline-2-Carboxylate
Methyl-7-fluor-3-{4-[(2-hydroxyethyl)sulfonyl]benzyl}-4-oxo-1-phenyl-1,4-dihydro-2-chinolincarboxylat [German] [ACD/IUPAC Name]
G1W

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

Density: 1.4±0.1 g/cm3
Boiling Point: 699.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 377.1±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 126.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 92.61
ACD/KOC (pH 5.5): 889.88
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 92.61
ACD/KOC (pH 7.4): 889.88
Polar Surface Area: 109 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 353.2±3.0 cm3

Click to predict properties on the Chemicalize site


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