ChemSpider 2D Image | (2S)-1,1,1-Trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-{[(2-methyl-5-quinolinyl)amino]methyl}-2-pentanol | C25H26F4N2O2

(2S)-1,1,1-Trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-{[(2-methyl-5-quinolinyl)amino]methyl}-2-pentanol

  • Molecular FormulaC25H26F4N2O2
  • Average mass462.480 Da
  • Monoisotopic mass462.193054 Da
  • ChemSpider ID72380192

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1,1,1-Trifluor-4-(5-fluor-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-{[(2-methyl-5-chinolinyl)amino]methyl}-2-pentanol [German] [ACD/IUPAC Name]
(2S)-1,1,1-Trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-méthyl-2-{[(2-méthyl-5-quinoléinyl)amino]méthyl}-2-pentanol [French] [ACD/IUPAC Name]
(2S)-1,1,1-Trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-{[(2-methyl-5-quinolinyl)amino]methyl}-2-pentanol [ACD/IUPAC Name]
7-Benzofuranpropanol, 5-fluoro-2,3-dihydro-γ,γ-dimethyl-α-[[(2-methyl-5-quinolinyl)amino]methyl]-α-(trifluoromethyl)-, (αS)- [ACD/Index Name]
(2S)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-[[(2-methylquinolin-5-yl)amino]methyl]pentan-2-ol
(S)-Mapracorat
887375-15-7 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 602.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 318.0±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 119.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 1629.85
ACD/KOC (pH 5.5): 4313.50
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8199.47
ACD/KOC (pH 7.4): 21700.42
Polar Surface Area: 54 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 351.4±3.0 cm3

Click to predict properties on the Chemicalize site


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