ChemSpider 2D Image | Methyl [(5-{[(2E)-3-(2,6-difluorophenyl)-2-propenoyl]amino}-8-quinolinyl)oxy]acetate | C21H16F2N2O4

Methyl [(5-{[(2E)-3-(2,6-difluorophenyl)-2-propenoyl]amino}-8-quinolinyl)oxy]acetate

  • Molecular FormulaC21H16F2N2O4
  • Average mass398.359 Da
  • Monoisotopic mass398.107819 Da
  • ChemSpider ID30380628

  • Double-bond stereo - Double-bond stereo

More details:

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

[(5-{[(2E)-3-(2,6-Difluorophényl)-2-propenoyl]amino}-8-quinoléinyl)oxy]acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[5-[[(2E)-3-(2,6-difluorophenyl)-1-oxo-2-propen-1-yl]amino]-8-quinolinyl]oxy]-, methyl ester [ACD/Index Name]
Methyl [(5-{[(2E)-3-(2,6-difluorophenyl)-2-propenoyl]amino}-8-quinolinyl)oxy]acetate [ACD/IUPAC Name]
Methyl-[(5-{[(2E)-3-(2,6-difluorphenyl)-2-propenoyl]amino}-8-chinolinyl)oxy]acetat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 598.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.7±30.1 °C
Index of Refraction: 1.651
Molar Refractivity: 105.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 90.76
ACD/KOC (pH 5.5): 877.03
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 90.80
ACD/KOC (pH 7.4): 877.42
Polar Surface Area: 78 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 287.6±3.0 cm3

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