Found 251 results

Search term: MF = 'C_{21}H_{16}F_{3}N_{5}O_{3}'
ChemSpider 2D Image | 1-{5-[(5-Methoxy-8-quinolinyl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethanone | C21H16F3N5O3

1-{5-[(5-Methoxy-8-quinolinyl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethanone

  • Molecular FormulaC21H16F3N5O3
  • Average mass443.379 Da
  • Monoisotopic mass443.120514 Da
  • ChemSpider ID21906602

More details:

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

1-{5-[(5-Methoxy-8-chinolinyl)amino]-2-[4-(trifluormethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethanon [German] [ACD/IUPAC Name]
1-{5-[(5-Méthoxy-8-quinoléinyl)amino]-2-[4-(trifluorométhoxy)phényl]-2H-1,2,3-triazol-4-yl}éthanone [French] [ACD/IUPAC Name]
1-{5-[(5-Methoxy-8-quinolinyl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethanone [ACD/IUPAC Name]
Ethanone, 1-[5-[(5-methoxy-8-quinolinyl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl]- [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: 565.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 296.0±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 108.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1226.38
ACD/KOC (pH 5.5): 5654.00
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1227.16
ACD/KOC (pH 7.4): 5657.62
Polar Surface Area: 91 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 308.5±7.0 cm3

Click to predict properties on the Chemicalize site


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