ChemSpider 2D Image | Methyl 2-{4-[(Z)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]-2-methoxyphenoxy}propanoate | C18H20N8O6

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

  • Molecular FormulaC18H20N8O6
  • Average mass444.401 Da
  • Monoisotopic mass444.150574 Da
  • ChemSpider ID101077556

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-, 2-[(1Z)-[3-methoxy-4-(2-methoxy-1-methyl-2-oxoethoxy)phenyl]methylene]hydrazide [ACD/Index Name]
2-{4-[(Z)-({[1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-méthyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)méthyl]-2-méthoxyphénoxy}propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-{4-[(Z)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]-2-methoxyphenoxy}propanoate [ACD/IUPAC Name]
Methyl-2-{4-[(Z)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]-2-methoxyphenoxy}propanoat [German] [ACD/IUPAC 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: 1.674
Molar Refractivity: 108.6±0.5 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.65
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.89
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.87
Polar Surface Area: 182 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 59.2±7.0 dyne/cm
Molar Volume: 289.4±7.0 cm3

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