ChemSpider 2D Image | (3R)-3-Methyl-6-[2-({5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl}methyl)phenoxy]hexanoic acid | C25H27F3N2O3

(3R)-3-Methyl-6-[2-({5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl}methyl)phenoxy]hexanoic acid

  • Molecular FormulaC25H27F3N2O3
  • Average mass460.489 Da
  • Monoisotopic mass460.197388 Da
  • ChemSpider ID115009398

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Methyl-6-[2-({5-methyl-2-[4-(trifluormethyl)phenyl]-1H-imidazol-1-yl}methyl)phenoxy]hexansäure [German] [ACD/IUPAC Name]
(3R)-3-Methyl-6-[2-({5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl}methyl)phenoxy]hexanoic acid [ACD/IUPAC Name]
Acide (3R)-3-méthyl-6-[2-({5-méthyl-2-[4-(trifluorométhyl)phényl]-1H-imidazol-1-yl}méthyl)phénoxy]hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl]methyl]phenoxy]-, (3R)- [ACD/Index Name]
(3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid
2095128-20-2 [RN]
Bocidelpar

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

Density: 1.2±0.1 g/cm3
Boiling Point: 613.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 324.8±34.3 °C
Index of Refraction: 1.548
Molar Refractivity: 120.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 604.27
ACD/KOC (pH 5.5): 1570.54
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 22.68
ACD/KOC (pH 7.4): 58.96
Polar Surface Area: 64 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 38.2±7.0 dyne/cm
Molar Volume: 378.0±7.0 cm3

Click to predict properties on the Chemicalize site


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