ChemSpider 2D Image | 5-(6-Methoxy-1H-benzimidazol-1-yl)-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}-2-thiophenecarboxamide | C22H18F3N3O3S

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

  • Molecular FormulaC22H18F3N3O3S
  • Average mass461.457 Da
  • Monoisotopic mass461.102081 Da
  • ChemSpider ID24718914

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Thiophenecarboxamide, 5-(6-methoxy-1H-benzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]- [ACD/Index Name]
5-(6-Methoxy-1H-benzimidazol-1-yl)-3-{(1R)-1-[2-(trifluormethyl)phenyl]ethoxy}-2-thiophencarboxamid [German] [ACD/IUPAC Name]
5-(6-Methoxy-1H-benzimidazol-1-yl)-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}-2-thiophenecarboxamide [ACD/IUPAC Name]
5-(6-Méthoxy-1H-benzimidazol-1-yl)-3-{(1R)-1-[2-(trifluorométhyl)phényl]éthoxy}-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
benzimidazole thiophene carboxamide, 17
GSK317315A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL522709/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 598.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.8±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 113.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 831.34
ACD/KOC (pH 5.5): 4275.28
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 835.45
ACD/KOC (pH 7.4): 4296.38
Polar Surface Area: 108 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 321.8±7.0 cm3

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