ChemSpider 2D Image | Methyl (2S,3S)-7-fluoro-2-(4-fluorophenyl)-3-(1-methyl-1H-1,2,4-triazol-5-yl)-4-oxo-1,2,3,4-tetrahydro-5-quinolinecarboxylate | C20H16F2N4O3

Methyl (2S,3S)-7-fluoro-2-(4-fluorophenyl)-3-(1-methyl-1H-1,2,4-triazol-5-yl)-4-oxo-1,2,3,4-tetrahydro-5-quinolinecarboxylate

  • Molecular FormulaC20H16F2N4O3
  • Average mass398.363 Da
  • Monoisotopic mass398.119049 Da
  • ChemSpider ID44209098

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-7-Fluoro-2-(4-fluorophényl)-3-(1-méthyl-1H-1,2,4-triazol-5-yl)-4-oxo-1,2,3,4-tétrahydro-5-quinoléinecarboxylate de méthyle [French] [ACD/IUPAC Name]
5-Quinolinecarboxylic acid, 7-fluoro-2-(4-fluorophenyl)-1,2,3,4-tetrahydro-3-(1-methyl-1H-1,2,4-triazol-5-yl)-4-oxo-, methyl ester, (2S,3S)- [ACD/Index Name]
Methyl (2S,3S)-7-fluoro-2-(4-fluorophenyl)-3-(1-methyl-1H-1,2,4-triazol-5-yl)-4-oxo-1,2,3,4-tetrahydro-5-quinolinecarboxylate [ACD/IUPAC Name]
Methyl-(2S,3S)-7-fluor-2-(4-fluorphenyl)-3-(1-methyl-1H-1,2,4-triazol-5-yl)-4-oxo-1,2,3,4-tetrahydro-5-chinolincarboxylat [German] [ACD/IUPAC Name]
(2S,3S)-methyl 7-fluoro-2-(4-fluorophenyl)-3-(1-methyl-1H-1,2,4-triazol-5-yl)-4-oxo-1,2,3,4-tetrahydroquinoline-5-carboxylate
1373329-52-2 [RN]
5-Quinolinecarboxylic acid,7-fluoro-2-(4-fluorophenyl)-1,2,3,4-tetrahydro-3-(1-methyl-1H-1,2,4-triazol-5-yl)-4-oxo-,methyl ester,(2S,3S)-
CS-14552
MFCD25977289

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

Density: 1.5±0.1 g/cm3
Boiling Point: 641.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.7±34.3 °C
Index of Refraction: 1.663
Molar Refractivity: 100.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 300.68
ACD/KOC (pH 5.5): 2066.37
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 301.22
ACD/KOC (pH 7.4): 2070.09
Polar Surface Area: 86 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 270.4±7.0 cm3

Click to predict properties on the Chemicalize site


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