ChemSpider 2D Image | 1-[3-(1-{4-Chloro-2-methoxy-3-[4-(trifluoromethyl)benzyl]-6-quinolinyl}-1-hydroxy-2-propyn-1-yl)-1-azetidinyl]ethanone | C26H22ClF3N2O3

1-[3-(1-{4-Chloro-2-methoxy-3-[4-(trifluoromethyl)benzyl]-6-quinolinyl}-1-hydroxy-2-propyn-1-yl)-1-azetidinyl]ethanone

  • Molecular FormulaC26H22ClF3N2O3
  • Average mass502.913 Da
  • Monoisotopic mass502.127106 Da
  • ChemSpider ID76724428

More details:

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

1-[3-(1-{4-Chlor-2-methoxy-3-[4-(trifluormethyl)benzyl]-6-chinolinyl}-1-hydroxy-2-propin-1-yl)-1-azetidinyl]ethanon [German] [ACD/IUPAC Name]
1-[3-(1-{4-Chloro-2-méthoxy-3-[4-(trifluorométhyl)benzyl]-6-quinoléinyl}-1-hydroxy-2-propyn-1-yl)-1-azétidinyl]éthanone [French] [ACD/IUPAC Name]
1-[3-(1-{4-Chloro-2-methoxy-3-[4-(trifluoromethyl)benzyl]-6-quinolinyl}-1-hydroxy-2-propyn-1-yl)-1-azetidinyl]ethanone [ACD/IUPAC Name]
Ethanone, 1-[3-[1-[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]-6-quinolinyl]-1-hydroxy-2-propyn-1-yl]-1-azetidinyl]- [ACD/Index 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: 606.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 320.6±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 125.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2883.22
ACD/KOC (pH 5.5): 10427.23
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2882.95
ACD/KOC (pH 7.4): 10426.25
Polar Surface Area: 63 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 362.9±3.0 cm3

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