ChemSpider 2D Image | 3-[(1R)-1-(2-Chlorophenyl)ethoxy]-5-{6-[(1-methyl-4-piperidinyl)methoxy]-1H-benzimidazol-1-yl}-2-thiophenecarboxamide | C27H29ClN4O3S

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

  • Molecular FormulaC27H29ClN4O3S
  • Average mass525.062 Da
  • Monoisotopic mass524.164917 Da
  • ChemSpider ID26639458

  • 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-[(1-methyl-4-piperidinyl)methoxy]-1H-benzimidazol-1-yl]- [ACD/Index Name]
3-[(1R)-1-(2-Chlorophenyl)ethoxy]-5-{6-[(1-methyl-4-piperidinyl)methoxy]-1H-benzimidazol-1-yl}-2-thiophenecarboxamide [ACD/IUPAC Name]
3-[(1R)-1-(2-Chlorophényl)éthoxy]-5-{6-[(1-méthyl-4-pipéridinyl)méthoxy]-1H-benzimidazol-1-yl}-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
3-[(1R)-1-(2-Chlorphenyl)ethoxy]-5-{6-[(1-methyl-4-piperidinyl)methoxy]-1H-benzimidazol-1-yl}-2-thiophencarboxamid [German] [ACD/IUPAC Name]
benzimidazole thiophene carboxamide, 22
GSK571989A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 686.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 369.0±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 142.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.33
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 17.39
ACD/KOC (pH 7.4): 91.67
Polar Surface Area: 111 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 379.5±7.0 cm3

Click to predict properties on the Chemicalize site


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