ChemSpider 2D Image | N-{[1-(Difluoromethyl)-1H-benzimidazol-2-yl]methyl}-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylacetamide | C21H21F2N3OS

N-{[1-(Difluoromethyl)-1H-benzimidazol-2-yl]methyl}-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylacetamide

  • Molecular FormulaC21H21F2N3OS
  • Average mass401.473 Da
  • Monoisotopic mass401.137329 Da
  • ChemSpider ID30045178

More details:

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

Acetamide, N-[[1-(difluoromethyl)-1H-benzimidazol-2-yl]methyl]-2-[(2,3-dihydro-1H-inden-5-yl)thio]-N-methyl- [ACD/Index Name]
N-{[1-(Difluormethyl)-1H-benzimidazol-2-yl]methyl}-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylacetamid [German] [ACD/IUPAC Name]
N-{[1-(Difluoromethyl)-1H-benzimidazol-2-yl]methyl}-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylacetamide [ACD/IUPAC Name]
N-{[1-(Difluorométhyl)-1H-benzimidazol-2-yl]méthyl}-2-(2,3-dihydro-1H-indén-5-ylsulfanyl)-N-méthylacétamide [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: 557.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 291.0±30.1 °C
Index of Refraction: 1.643
Molar Refractivity: 108.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1274.49
ACD/KOC (pH 5.5): 5811.86
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1275.33
ACD/KOC (pH 7.4): 5815.71
Polar Surface Area: 63 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 299.5±7.0 cm3

Click to predict properties on the Chemicalize site


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