ChemSpider 2D Image | 5-[6-[(4-Methyl-1-piperazinyl)methyl]-1H-benzimidazol-1-yl]-3-[(1S)-1-[2-(trifluoromethyl)phenyl]ethoxy]-2-thiophenecarboxamide | C27H28F3N5O2S

5-[6-[(4-Methyl-1-piperazinyl)methyl]-1H-benzimidazol-1-yl]-3-[(1S)-1-[2-(trifluoromethyl)phenyl]ethoxy]-2-thiophenecarboxamide

  • Molecular FormulaC27H28F3N5O2S
  • Average mass543.604 Da
  • Monoisotopic mass543.191589 Da
  • ChemSpider ID13179206

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Thiophenecarboxamide, 5-[6-[(4-methyl-1-piperazinyl)methyl]-1H-benzimidazol-1-yl]-3-[(1S)-1-[2-(trifluoromethyl)phenyl]ethoxy]- [ACD/Index Name]
5-[6-[(4-Methyl-1-piperazinyl)methyl]-1H-benzimidazol-1-yl]-3-[(1S)-1-[2-(trifluoromethyl)phenyl]ethoxy]-2-thiophenecarboxamide
5-{6-[(4-Methyl-1-piperazinyl)methyl]-1H-benzimidazol-1-yl}-3-{(1S)-1-[2-(trifluormethyl)phenyl]ethoxy}-2-thiophencarboxamid [German] [ACD/IUPAC Name]
5-{6-[(4-Methyl-1-piperazinyl)methyl]-1H-benzimidazol-1-yl}-3-{(1S)-1-[2-(trifluoromethyl)phenyl]ethoxy}-2-thiophenecarboxamide [ACD/IUPAC Name]
5-{6-[(4-Méthyl-1-pipérazinyl)méthyl]-1H-benzimidazol-1-yl}-3-{(1S)-1-[2-(trifluorométhyl)phényl]éthoxy}-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
929095-27-2 [RN]
GSK461364A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 658.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 351.7±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 140.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 1.17
ACD/KOC (pH 5.5): 10.03
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 53.21
ACD/KOC (pH 7.4): 455.17
Polar Surface Area: 105 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 388.5±7.0 cm3

Click to predict properties on the Chemicalize site


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