ChemSpider 2D Image | Torcetrapib | C26H25F9N2O4

Torcetrapib

  • Molecular FormulaC26H25F9N2O4
  • Average mass600.473 Da
  • Monoisotopic mass600.167053 Da
  • ChemSpider ID8027365

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]-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, ethyl ester [ACD/Index Name]
4-{[3,5-Bis(trifluorométhyl)benzyl](méthoxycarbonyl)amino}-2-éthyl-6-(trifluorométhyl)-3,4-dihydro-1(2H)-quinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1(2H)-quinolinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{[3,5-bis(trifluormethyl)benzyl](methoxycarbonyl)amino}-2-ethyl-6-(trifluormethyl)-3,4-dihydro-1(2H)-chinolincarboxylat [German] [ACD/IUPAC Name]
Torcetrapib [Wiki]
4N4457MV2U
D06195
ethyl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
ethyl(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
Torcetrapib (USAN/INN)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 504.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 259.1±30.1 °C
Index of Refraction: 1.512
Molar Refractivity: 126.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 7.03
ACD/BCF (pH 5.5): 129585.09
ACD/KOC (pH 5.5): 158907.61
ACD/LogD (pH 7.4): 7.03
ACD/BCF (pH 7.4): 129585.09
ACD/KOC (pH 7.4): 158907.61
Polar Surface Area: 59 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 41.6±5.0 dyne/cm
Molar Volume: 422.4±5.0 cm3

Click to predict properties on the Chemicalize site


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