ChemSpider 2D Image | 2-Methyl-N-[1-(1H-1,2,4-triazol-1-ylacetyl)-4-azepanyl]-6-(trifluoromethyl)nicotinamide | C18H21F3N6O2

2-Methyl-N-[1-(1H-1,2,4-triazol-1-ylacetyl)-4-azepanyl]-6-(trifluoromethyl)nicotinamide

  • Molecular FormulaC18H21F3N6O2
  • Average mass410.393 Da
  • Monoisotopic mass410.167816 Da
  • ChemSpider ID29959914

More details:

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

2-Methyl-N-[1-(1H-1,2,4-triazol-1-ylacetyl)-4-azepanyl]-6-(trifluormethyl)nicotinamid [German] [ACD/IUPAC Name]
2-Methyl-N-[1-(1H-1,2,4-triazol-1-ylacetyl)-4-azepanyl]-6-(trifluoromethyl)nicotinamide [ACD/IUPAC Name]
2-Méthyl-N-{1-[2-(1H-1,2,4-triazol-1-yl)acétyl]-4-azépanyl}-6-(trifluorométhyl)nicotinamide [French] [ACD/IUPAC Name]
3-Pyridinecarboxamide, N-[hexahydro-1-[2-(1H-1,2,4-triazol-1-yl)acetyl]-1H-azepin-4-yl]-2-methyl-6-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.617
Molar Refractivity: 99.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.06
ACD/KOC (pH 5.5): 77.49
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.07
ACD/KOC (pH 7.4): 77.64
Polar Surface Area: 93 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 284.9±7.0 cm3

Click to predict properties on the Chemicalize site


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