ChemSpider 2D Image | Ethyl (4-{(Z)-[({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazono]methyl}-2-methoxyphenoxy)acetate | C22H29N9O6

Ethyl (4-{(Z)-[({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazono]methyl}-2-methoxyphenoxy)acetate

  • Molecular FormulaC22H29N9O6
  • Average mass515.522 Da
  • Monoisotopic mass515.224060 Da
  • ChemSpider ID101050283

  • Double-bond stereo - Double-bond stereo

More details:

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

(4-{(Z)-[({1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(diéthylamino)méthyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazono]méthyl}-2-méthoxyphénoxy)acétate d'éthyle [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)-[4-(2-ethoxy-2-oxoethoxy)-3-methoxyphenyl]methylene]hydrazide [ACD/Index Name]
Ethyl (4-{(Z)-[({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazono]methyl}-2-methoxyphenoxy)acetate [ACD/IUPAC Name]
Ethyl-(4-{(Z)-[({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazono]methyl}-2-methoxyphenoxy)acetat [German] [ACD/IUPAC 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: 1.638
Molar Refractivity: 131.0±0.5 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: -0.11
ACD/LogD (pH 5.5): -2.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.72
Polar Surface Area: 185 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 364.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement