ChemSpider 2D Image | N-(2-{[3-(3,4-Dimethoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy}ethyl)-1-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxamide | C21H21N7O5

N-(2-{[3-(3,4-Dimethoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy}ethyl)-1-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxamide

  • Molecular FormulaC21H21N7O5
  • Average mass451.435 Da
  • Monoisotopic mass451.160431 Da
  • ChemSpider ID39216870

More details:

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

3-Pyridazinecarboxamide, N-[2-[[3-(3,4-dimethoxyphenyl)-1,2,4-triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-1,6-dihydro-1-methyl-6-oxo- [ACD/Index Name]
N-(2-{[3-(3,4-Dimethoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy}ethyl)-1-methyl-6-oxo-1,6-dihydro-3-pyridazincarboxamid [German] [ACD/IUPAC Name]
N-(2-{[3-(3,4-Dimethoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy}ethyl)-1-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxamide [ACD/IUPAC Name]
N-(2-{[3-(3,4-Diméthoxyphényl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy}éthyl)-1-méthyl-6-oxo-1,6-dihydro-3-pyridazinecarboxamide [French] [ACD/IUPAC Name]
N-(2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy)ethyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide

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: 1.676
Molar Refractivity: 117.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.05
ACD/KOC (pH 5.5): 35.97
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.03
ACD/KOC (pH 7.4): 35.42
Polar Surface Area: 133 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 312.8±7.0 cm3

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