ChemSpider 2D Image | 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-{(Z)-[3-(1,3-dioxolan-2-ylmethoxy)-4-methoxyphenyl]methylene}-1H-1,2,3-triazole-4-carbohydrazide | C22H29N9O6

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

  • Molecular FormulaC22H29N9O6
  • Average mass515.522 Da
  • Monoisotopic mass515.224060 Da
  • ChemSpider ID101051082

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

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: 1.670
Molar Refractivity: 129.1±0.5 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -2.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.38
Polar Surface Area: 177 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 58.7±7.0 dyne/cm
Molar Volume: 345.9±7.0 cm3

Click to predict properties on the Chemicalize site


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