ChemSpider 2D Image | 1-[(7-Fluoro-2-oxo-1,2-dihydro-3-quinolinyl)methyl]-3-{2-[(trifluoromethyl)sulfinyl]ethyl}urea | C14H13F4N3O3S

1-[(7-Fluoro-2-oxo-1,2-dihydro-3-quinolinyl)methyl]-3-{2-[(trifluoromethyl)sulfinyl]ethyl}urea

  • Molecular FormulaC14H13F4N3O3S
  • Average mass379.330 Da
  • Monoisotopic mass379.061371 Da
  • ChemSpider ID103777662

More details:

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

1-[(7-Fluor-2-oxo-1,2-dihydro-3-chinolinyl)methyl]-3-{2-[(trifluormethyl)sulfinyl]ethyl}harnstoff [German] [ACD/IUPAC Name]
1-[(7-Fluoro-2-oxo-1,2-dihydro-3-quinoléinyl)méthyl]-3-{2-[(trifluorométhyl)sulfinyl]éthyl}urée [French] [ACD/IUPAC Name]
1-[(7-Fluoro-2-oxo-1,2-dihydro-3-quinolinyl)methyl]-3-{2-[(trifluoromethyl)sulfinyl]ethyl}urea [ACD/IUPAC Name]
Urea, N-[(7-fluoro-1,2-dihydro-2-oxo-3-quinolinyl)methyl]-N'-[2-[(trifluoromethyl)sulfinyl]ethyl]- [ACD/Index 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: 632.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 336.4±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 81.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.88
ACD/KOC (pH 5.5): 138.44
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.87
ACD/KOC (pH 7.4): 138.27
Polar Surface Area: 107 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 252.0±3.0 cm3

Click to predict properties on the Chemicalize site


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