ChemSpider 2D Image | Ethyl 4-(4-{(Z)-[({1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazol-3-yl}carbonyl)hydrazono]methyl}phenoxy)butanoate | C20H22N8O6

Ethyl 4-(4-{(Z)-[({1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazol-3-yl}carbonyl)hydrazono]methyl}phenoxy)butanoate

  • Molecular FormulaC20H22N8O6
  • Average mass470.439 Da
  • Monoisotopic mass470.166229 Da
  • ChemSpider ID103494361

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrazole-3-carboxylic acid, 1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-, 2-[(1Z)-[4-(4-ethoxy-4-oxobutoxy)phenyl]methylene]hydrazide [ACD/Index Name]
4-(4-{(Z)-[({1-[(3-Nitro-1H-1,2,4-triazol-1-yl)méthyl]-1H-pyrazol-3-yl}carbonyl)hydrazono]méthyl}phénoxy)butanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(4-{(Z)-[({1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazol-3-yl}carbonyl)hydrazono]methyl}phenoxy)butanoate [ACD/IUPAC Name]
Ethyl-4-(4-{(Z)-[({1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazol-3-yl}carbonyl)hydrazono]methyl}phenoxy)butanoat [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: 1.660
Molar Refractivity: 120.2±0.5 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 0.17
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.96
ACD/KOC (pH 5.5): 56.38
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.96
ACD/KOC (pH 7.4): 56.37
Polar Surface Area: 171 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 62.7±7.0 dyne/cm
Molar Volume: 325.8±7.0 cm3

Click to predict properties on the Chemicalize site


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