ChemSpider 2D Image | 3-[(1R)-1-(2-Chlorophenyl)ethoxy]-5-{6-[(2S)-2,3-dihydroxypropoxy]-1H-benzimidazol-1-yl}-2-thiophenecarboxamide | C23H22ClN3O5S

3-[(1R)-1-(2-Chlorophenyl)ethoxy]-5-{6-[(2S)-2,3-dihydroxypropoxy]-1H-benzimidazol-1-yl}-2-thiophenecarboxamide

  • Molecular FormulaC23H22ClN3O5S
  • Average mass487.956 Da
  • Monoisotopic mass487.096863 Da
  • ChemSpider ID26639424

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Thiophenecarboxamide, 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[(2S)-2,3-dihydroxypropoxy]-1H-benzimidazol-1-yl]- [ACD/Index Name]
3-[(1R)-1-(2-Chlorophenyl)ethoxy]-5-{6-[(2S)-2,3-dihydroxypropoxy]-1H-benzimidazol-1-yl}-2-thiophenecarboxamide [ACD/IUPAC Name]
3-[(1R)-1-(2-Chlorophényl)éthoxy]-5-{6-[(2S)-2,3-dihydroxypropoxy]-1H-benzimidazol-1-yl}-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
3-[(1R)-1-(2-Chlorphenyl)ethoxy]-5-{6-[(2S)-2,3-dihydroxypropoxy]-1H-benzimidazol-1-yl}-2-thiophencarboxamid [German] [ACD/IUPAC Name]
benzimidazole thiophene carboxamide, 18
GSK978744A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 734.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 398.3±35.7 °C
Index of Refraction: 1.685
Molar Refractivity: 124.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.40
ACD/KOC (pH 5.5): 499.52
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.55
ACD/KOC (pH 7.4): 501.41
Polar Surface Area: 148 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 328.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement