ChemSpider 2D Image | 2-[3-(Ethoxycarbonyl)-6,7,8-trifluoro-4-oxo-1(4H)-quinolinyl]-3-fluoro-3-[(4-methoxyphenyl)sulfanyl]propanoic acid | C22H17F4NO6S

2-[3-(Ethoxycarbonyl)-6,7,8-trifluoro-4-oxo-1(4H)-quinolinyl]-3-fluoro-3-[(4-methoxyphenyl)sulfanyl]propanoic acid

  • Molecular FormulaC22H17F4NO6S
  • Average mass499.432 Da
  • Monoisotopic mass499.071259 Da
  • ChemSpider ID74076961

More details:

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

1(4H)-Quinolineacetic acid, 3-(ethoxycarbonyl)-6,7,8-trifluoro-α-[fluoro[(4-methoxyphenyl)thio]methyl]-4-oxo- [ACD/Index Name]
2-[3-(Ethoxycarbonyl)-6,7,8-trifluor-4-oxo-1(4H)-chinolinyl]-3-fluor-3-[(4-methoxyphenyl)sulfanyl]propansäure [German] [ACD/IUPAC Name]
2-[3-(Ethoxycarbonyl)-6,7,8-trifluoro-4-oxo-1(4H)-quinolinyl]-3-fluoro-3-[(4-methoxyphenyl)sulfanyl]propanoic acid [ACD/IUPAC Name]
Acide 2-[3-(éthoxycarbonyl)-6,7,8-trifluoro-4-oxo-1(4H)-quinoléinyl]-3-fluoro-3-[(4-méthoxyphényl)sulfanyl]propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 630.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 334.8±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 113.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.11
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 326.8±5.0 cm3

Click to predict properties on the Chemicalize site


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