ChemSpider 2D Image | N-(2-{[3-(3-Methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy}ethyl)-2,1,3-benzothiadiazole-5-carboxamide | C21H17N7O3S

N-(2-{[3-(3-Methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy}ethyl)-2,1,3-benzothiadiazole-5-carboxamide

  • Molecular FormulaC21H17N7O3S
  • Average mass447.470 Da
  • Monoisotopic mass447.111359 Da
  • ChemSpider ID39215595

More details:

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

2,1,3-Benzothiadiazole-5-carboxamide, N-[2-[[3-(3-methoxyphenyl)-1,2,4-triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]- [ACD/Index Name]
N-(2-{[3-(3-Methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy}ethyl)-2,1,3-benzothiadiazol-5-carboxamid [German] [ACD/IUPAC Name]
N-(2-{[3-(3-Methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy}ethyl)-2,1,3-benzothiadiazole-5-carboxamide [ACD/IUPAC Name]
N-(2-{[3-(3-Méthoxyphényl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy}éthyl)-2,1,3-benzothiadiazole-5-carboxamide [French] [ACD/IUPAC Name]
N-(2-((3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy)ethyl)benzo[c][1,2,5]thiadiazole-5-carboxamide

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.764
Molar Refractivity: 120.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.34
ACD/KOC (pH 5.5): 575.27
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.34
ACD/KOC (pH 7.4): 575.26
Polar Surface Area: 145 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 66.4±7.0 dyne/cm
Molar Volume: 290.7±7.0 cm3

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