ChemSpider 2D Image | GSK2636771 | C22H22F3N3O3

GSK2636771

  • Molecular FormulaC22H22F3N3O3
  • Average mass433.424 Da
  • Monoisotopic mass433.161316 Da
  • ChemSpider ID27289074

More details:

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

1372540-25-4 [RN]
1H-Benzimidazole-4-carboxylic acid, 2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-(4-morpholinyl)- [ACD/Index Name]
2-Methyl-1-[2-methyl-3-(trifluormethyl)benzyl]-6-(4-morpholinyl)-1H-benzimidazol-4-carbonsäure [German] [ACD/IUPAC Name]
2-Methyl-1-[2-methyl-3-(trifluoromethyl)benzyl]-6-(4-morpholinyl)-1H-benzimidazole-4-carboxylic acid [ACD/IUPAC Name]
2-methyl-1-{[2-methyl-3-(trifluoromethyl)phenyl]methyl}-6-(morpholin-4-yl)-1,3-benzodiazole-4-carboxylic acid
2-methyl-1-{[2-methyl-3-(trifluoromethyl)phenyl]methyl}-6-(morpholin-4-yl)-1H-1,3-benzodiazole-4-carboxylic acid
Acide 2-méthyl-1-[2-méthyl-3-(trifluorométhyl)benzyl]-6-(4-morpholinyl)-1H-benzimidazole-4-carboxylique [French] [ACD/IUPAC Name]
GSK2636771
GSK-2636771
[1372540-25-4] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DW94IAT0LS [DBID]
UNII:DW94IAT0LS [DBID]
UNII-DW94IAT0LS [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: 641.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 341.7±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 107.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 1.85
ACD/KOC (pH 5.5): 10.51
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 1.23
ACD/KOC (pH 7.4): 6.96
Polar Surface Area: 68 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 312.1±7.0 cm3

Click to predict properties on the Chemicalize site


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