ChemSpider 2D Image | N-{(1R)-1-[1-Ethyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl}-4-isobutylbenzenesulfonamide | C22H26F3N3O2S

N-{(1R)-1-[1-Ethyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl}-4-isobutylbenzenesulfonamide

  • Molecular FormulaC22H26F3N3O2S
  • Average mass453.521 Da
  • Monoisotopic mass453.169769 Da
  • ChemSpider ID59000860

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzenesulfonamide, N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]-4-(2-methylpropyl)- [ACD/Index Name]
N-{(1R)-1-[1-Ethyl-6-(trifluormethyl)-1H-benzimidazol-2-yl]ethyl}-4-isobutylbenzolsulfonamid [German] [ACD/IUPAC Name]
N-{(1R)-1-[1-Ethyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl}-4-isobutylbenzenesulfonamide [ACD/IUPAC Name]
N-{(1R)-1-[1-Éthyl-6-(trifluorométhyl)-1H-benzimidazol-2-yl]éthyl}-4-isobutylbenzènesulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 557.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.2±32.9 °C
Index of Refraction: 1.570
Molar Refractivity: 115.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5855.10
ACD/KOC (pH 5.5): 17266.96
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5870.67
ACD/KOC (pH 7.4): 17312.89
Polar Surface Area: 72 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 39.0±7.0 dyne/cm
Molar Volume: 352.0±7.0 cm3

Click to predict properties on the Chemicalize site


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