ChemSpider 2D Image | Ethyl 4-({1-[2-(4-bromophenyl)-2-oxoethyl]-1H-1,2,3-triazol-4-yl}methoxy)-8-(trifluoromethyl)-3-quinolinecarboxylate | C24H18BrF3N4O4

Ethyl 4-({1-[2-(4-bromophenyl)-2-oxoethyl]-1H-1,2,3-triazol-4-yl}methoxy)-8-(trifluoromethyl)-3-quinolinecarboxylate

  • Molecular FormulaC24H18BrF3N4O4
  • Average mass563.323 Da
  • Monoisotopic mass562.046326 Da
  • ChemSpider ID30658227

More details:

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

3-Quinolinecarboxylic acid, 4-[[1-[2-(4-bromophenyl)-2-oxoethyl]-1H-1,2,3-triazol-4-yl]methoxy]-8-(trifluoromethyl)-, ethyl ester [ACD/Index Name]
4-({1-[2-(4-Bromophényl)-2-oxoéthyl]-1H-1,2,3-triazol-4-yl}méthoxy)-8-(trifluorométhyl)-3-quinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-({1-[2-(4-bromophenyl)-2-oxoethyl]-1H-1,2,3-triazol-4-yl}methoxy)-8-(trifluoromethyl)-3-quinolinecarboxylate [ACD/IUPAC Name]
Ethyl-4-({1-[2-(4-bromphenyl)-2-oxoethyl]-1H-1,2,3-triazol-4-yl}methoxy)-8-(trifluormethyl)-3-chinolincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 653.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.0±34.3 °C
Index of Refraction: 1.624
Molar Refractivity: 128.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1332.92
ACD/KOC (pH 5.5): 6002.32
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1333.07
ACD/KOC (pH 7.4): 6003.01
Polar Surface Area: 96 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 362.6±7.0 cm3

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