ChemSpider 2D Image | 1-{2-Fluoro-4-[4-(methylcarbamoyl)-1H-1,2,3-triazol-1-yl]butyl}-N-[(6-methyl-3-pyridinyl)methyl]-1H-1,2,3-triazole-4-carboxamide | C18H22FN9O2

1-{2-Fluoro-4-[4-(methylcarbamoyl)-1H-1,2,3-triazol-1-yl]butyl}-N-[(6-methyl-3-pyridinyl)methyl]-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC18H22FN9O2
  • Average mass415.425 Da
  • Monoisotopic mass415.188049 Da
  • ChemSpider ID129054006

More details:

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

1-{2-Fluor-4-[4-(methylcarbamoyl)-1H-1,2,3-triazol-1-yl]butyl}-N-[(6-methyl-3-pyridinyl)methyl]-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
1-{2-Fluoro-4-[4-(methylcarbamoyl)-1H-1,2,3-triazol-1-yl]butyl}-N-[(6-methyl-3-pyridinyl)methyl]-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
1-{2-Fluoro-4-[4-(méthylcarbamoyl)-1H-1,2,3-triazol-1-yl]butyl}-N-[(6-méthyl-3-pyridinyl)méthyl]-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxamide, 1-[2-fluoro-4-[4-[(methylamino)carbonyl]-1H-1,2,3-triazol-1-yl]butyl]-N-[(6-methyl-3-pyridinyl)methyl]- [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: 1.679
Molar Refractivity: 108.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -1.84
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.57
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.17
Polar Surface Area: 133 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 286.9±7.0 cm3

Click to predict properties on the Chemicalize site


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