ChemSpider 2D Image | 3-[(1R)-1-(2-Chlorophenyl)ethoxy]-5-(6-methoxy-1H-benzimidazol-1-yl)-2-thiophenecarboxamide | C21H18ClN3O3S

3-[(1R)-1-(2-Chlorophenyl)ethoxy]-5-(6-methoxy-1H-benzimidazol-1-yl)-2-thiophenecarboxamide

  • Molecular FormulaC21H18ClN3O3S
  • Average mass427.904 Da
  • Monoisotopic mass427.075745 Da
  • ChemSpider ID24705246

  • defined stereocentres - 1 of 1 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-methoxy-1H-benzimidazol-1-yl)- [ACD/Index Name]
3-[(1R)-1-(2-Chlorophenyl)ethoxy]-5-(6-methoxy-1H-benzimidazol-1-yl)-2-thiophenecarboxamide [ACD/IUPAC Name]
3-[(1R)-1-(2-Chlorophényl)éthoxy]-5-(6-méthoxy-1H-benzimidazol-1-yl)-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
3-[(1R)-1-(2-Chlorphenyl)ethoxy]-5-(6-methoxy-1H-benzimidazol-1-yl)-2-thiophencarboxamid [German] [ACD/IUPAC Name]
benzimidazole thiophene carboxamide, 16
GSK317314A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL493326/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 620.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 328.9±34.3 °C
Index of Refraction: 1.680
Molar Refractivity: 113.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 317.99
ACD/KOC (pH 5.5): 2148.89
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 319.55
ACD/KOC (pH 7.4): 2159.49
Polar Surface Area: 108 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 301.0±7.0 cm3

Click to predict properties on the Chemicalize site


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