ChemSpider 2D Image | Torcetrapib | C26H22D3F9N2O4

Torcetrapib

  • Molecular FormulaC26H22D3F9N2O4
  • Average mass603.492 Da
  • Monoisotopic mass603.185913 Da
  • ChemSpider ID29361807

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R,4S)-4-([3,5-Bis(trifluorométhyl)benzyl]{[(2H3)méthyloxy]carbonyl}amino)-2-éthyl-6-(trifluorométhyl)-3,4-dihydro-1(2H)-quinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
1(2H)-Quinolinecarboxylic acid, 4-[[[3,5-bis(trifluoromethyl)phenyl]methyl][(methyl-d3-oxy)carbonyl]amino]-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, ethyl ester, (2R,4S)- [ACD/Index Name]
Ethyl (2R,4S)-4-([3,5-bis(trifluoromethyl)benzyl]{[(2H3)methyloxy]carbonyl}amino)-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1(2H)-quinolinecarboxylate [ACD/IUPAC Name]
Ethyl-(2R,4S)-4-([3,5-bis(trifluormethyl)benzyl]{[(2H3)methyloxy]carbonyl}amino)-2-ethyl-6-(trifluormethyl)-3,4-dihydro-1(2H)-chinolincarboxylat [German] [ACD/IUPAC Name]
Torcetrapib [Wiki]
Torcetrapib-D3
(2R,4S)-4-((3,5-bis-trifluoromethylbenzyl)methoxycarbonylamino)-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid ethyl ester
(2R,4S)-4-[(3,5-Bis-trifluoromethylbenzyl)methoxycarbonylamino]-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid ethyl ester
MFCD08063631 [MDL number]
MFCD09260777 [MDL number]

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

CP-529,414 [DBID]
CP-529414 [DBID]

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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