ChemSpider 2D Image | 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-{(Z)-[2-(1,3-dioxolan-2-ylmethoxy)-3-methoxyphenyl]methylene}-5-methyl-1H-1,2,3-triazole-4-carbohydrazide | C18H20N8O6

1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-{(Z)-[2-(1,3-dioxolan-2-ylmethoxy)-3-methoxyphenyl]methylene}-5-methyl-1H-1,2,3-triazole-4-carbohydrazide

  • Molecular FormulaC18H20N8O6
  • Average mass444.401 Da
  • Monoisotopic mass444.150574 Da
  • ChemSpider ID101077139

  • Double-bond stereo - Double-bond stereo

More details:

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

1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-{(Z)-[2-(1,3-dioxolan-2-ylmethoxy)-3-methoxyphenyl]methylen}-5-methyl-1H-1,2,3-triazol-4-carbohydrazid [German] [ACD/IUPAC Name]
1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-{(Z)-[2-(1,3-dioxolan-2-ylmethoxy)-3-methoxyphenyl]methylene}-5-methyl-1H-1,2,3-triazole-4-carbohydrazide [ACD/IUPAC Name]
1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-{(Z)-[2-(1,3-dioxolan-2-ylméthoxy)-3-méthoxyphényl]méthylène}-5-méthyl-1H-1,2,3-triazole-4-carbohydrazide [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-, 2-[(1Z)-[2-(1,3-dioxolan-2-ylmethoxy)-3-methoxyphenyl]methylene]hydrazide [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.716
Molar Refractivity: 106.9±0.5 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -1.34
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.11
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.10
Polar Surface Area: 174 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 66.5±7.0 dyne/cm
Molar Volume: 271.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement