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Search term: LAXZVTDAFQYTDE (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1-Ethyl-N,N-dimethyl-2-[(methyl{[1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]methyl}amino)methyl]-1H-benzimidazole-5-sulfonamide | C19H25F3N6O2S

1-Ethyl-N,N-dimethyl-2-[(methyl{[1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]methyl}amino)methyl]-1H-benzimidazole-5-sulfonamide

  • Molecular FormulaC19H25F3N6O2S
  • Average mass458.501 Da
  • Monoisotopic mass458.171173 Da
  • ChemSpider ID33876158

More details:






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

1-Ethyl-N,N-dimethyl-2-[(methyl{[1-(2,2,2-trifluorethyl)-1H-imidazol-2-yl]methyl}amino)methyl]-1H-benzimidazol-5-sulfonamid [German] [ACD/IUPAC Name]
1-Ethyl-N,N-dimethyl-2-[(methyl{[1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]methyl}amino)methyl]-1H-benzimidazole-5-sulfonamide [ACD/IUPAC Name]
1-Éthyl-N,N-diméthyl-2-[(méthyl{[1-(2,2,2-trifluoroéthyl)-1H-imidazol-2-yl]méthyl}amino)méthyl]-1H-benzimidazole-5-sulfonamide [French] [ACD/IUPAC Name]
1H-Benzimidazole-5-sulfonamide, 1-ethyl-N,N-dimethyl-2-[[methyl[[1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]methyl]amino]methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 600.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.7±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 113.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.94
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 20.65
ACD/KOC (pH 7.4): 273.81
Polar Surface Area: 85 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 336.2±7.0 cm3

Click to predict properties on the Chemicalize site






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