ChemSpider 2D Image | Obicetrapib | C32H31F9N4O5

Obicetrapib

  • Molecular FormulaC32H31F9N4O5
  • Average mass722.598 Da
  • Monoisotopic mass722.215088 Da
  • ChemSpider ID9673402

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1(2H)-Quinolinecarboxylic acid, 4-[[[3,5-bis(trifluoromethyl)phenyl]methyl][5-(3-carboxypropoxy)-2-pyrimidinyl]amino]-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, 1-ethyl ester, (2R,4S)- [ACD/Index Name]
4-[(2-{[3,5-Bis(trifluormethyl)benzyl][(2R,4S)-1-(ethoxycarbonyl)-2-ethyl-6-(trifluormethyl)-1,2,3,4-tetrahydro-4-chinolinyl]amino}-5-pyrimidinyl)oxy]butansäure [German] [ACD/IUPAC Name]
4-[(2-{[3,5-Bis(trifluoromethyl)benzyl][(2R,4S)-1-(ethoxycarbonyl)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydro-4-quinolinyl]amino}-5-pyrimidinyl)oxy]butanoic acid [ACD/IUPAC Name]
866399-87-3 [RN]
8O74K609HN
Acide 4-[(2-{[3,5-bis(trifluorométhyl)benzyl][(2R,4S)-1-(éthoxycarbonyl)-2-éthyl-6-(trifluorométhyl)-1,2,3,4-tétrahydro-4-quinoléinyl]amino}-5-pyrimidinyl)oxy]butanoïque [French] [ACD/IUPAC Name]
obicetrapib [Spanish] [INN]
Obicetrapib [INN]
obicétrapib [French] [INN]
obicetrapibum [Latin] [INN]
More...

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

9979 [DBID]
  • Miscellaneous

    • Bio Activity:

      TA-8995 is a new and selective cholesteryl ester transfer protein (CETP) inhibitor. MedChem Express

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

Density: 1.4±0.1 g/cm3
Boiling Point: 692.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 372.6±34.3 °C
Index of Refraction: 1.524
Molar Refractivity: 158.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 9.05
ACD/LogD (pH 5.5): 6.53
ACD/BCF (pH 5.5): 31172.87
ACD/KOC (pH 5.5): 29557.80
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 491.04
ACD/KOC (pH 7.4): 465.59
Polar Surface Area: 105 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 518.3±3.0 cm3

Click to predict properties on the Chemicalize site


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