ChemSpider 2D Image | Ethyl 4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2,6,7-trimethyl-3,4-dihydro-1(2H)-quinolinecarboxylate | C26H28F6N2O4

Ethyl 4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2,6,7-trimethyl-3,4-dihydro-1(2H)-quinolinecarboxylate

  • Molecular FormulaC26H28F6N2O4
  • Average mass546.502 Da
  • Monoisotopic mass546.195313 Da
  • ChemSpider ID8134741

More details:

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

1(2H)-Quinolinecarboxylic acid, 4-[[[3,5-bis(trifluoromethyl)phenyl]methyl](methoxycarbonyl)amino]-3,4-dihydro-2,6,7-trimethyl-, ethyl ester [ACD/Index Name]
4-{[3,5-Bis(trifluorométhyl)benzyl](méthoxycarbonyl)amino}-2,6,7-triméthyl-3,4-dihydro-1(2H)-quinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2,6,7-trimethyl-3,4-dihydro-1(2H)-quinolinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{[3,5-bis(trifluormethyl)benzyl](methoxycarbonyl)amino}-2,6,7-trimethyl-3,4-dihydro-1(2H)-chinolincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 531.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.0±30.1 °C
Index of Refraction: 1.533
Molar Refractivity: 126.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.58
ACD/LogD (pH 5.5): 6.71
ACD/BCF (pH 5.5): 74480.52
ACD/KOC (pH 5.5): 106902.16
ACD/LogD (pH 7.4): 6.71
ACD/BCF (pH 7.4): 74481.74
ACD/KOC (pH 7.4): 106903.91
Polar Surface Area: 59 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 407.0±5.0 cm3

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