ChemSpider 2D Image | 5-{6-[(1-Methyl-4-piperidinyl)methoxy]-1H-benzimidazol-1-yl}-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}-2-thiophenecarboxamide | C28H29F3N4O3S

5-{6-[(1-Methyl-4-piperidinyl)methoxy]-1H-benzimidazol-1-yl}-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}-2-thiophenecarboxamide

  • Molecular FormulaC28H29F3N4O3S
  • Average mass558.615 Da
  • Monoisotopic mass558.191223 Da
  • ChemSpider ID26639457

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Thiophenecarboxamide, 5-[6-[(1-methyl-4-piperidinyl)methoxy]-1H-benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]- [ACD/Index Name]
5-{6-[(1-Methyl-4-piperidinyl)methoxy]-1H-benzimidazol-1-yl}-3-{(1R)-1-[2-(trifluormethyl)phenyl]ethoxy}-2-thiophencarboxamid [German] [ACD/IUPAC Name]
5-{6-[(1-Methyl-4-piperidinyl)methoxy]-1H-benzimidazol-1-yl}-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}-2-thiophenecarboxamide [ACD/IUPAC Name]
5-{6-[(1-Méthyl-4-pipéridinyl)méthoxy]-1H-benzimidazol-1-yl}-3-{(1R)-1-[2-(trifluorométhyl)phényl]éthoxy}-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
benzimidazole thiophene carboxamide, 21
GSK326090A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 669.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.6±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 142.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 2.00
ACD/KOC (pH 5.5): 8.19
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 42.39
ACD/KOC (pH 7.4): 173.45
Polar Surface Area: 111 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 400.2±7.0 cm3

Click to predict properties on the Chemicalize site


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