ChemSpider 2D Image | Ethyl 2-{4-[(Z)-{[(4-amino-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl)carbonyl]hydrazono}methyl]-2-bromo-6-ethoxyphenoxy}propanoate | C27H28BrN7O5

Ethyl 2-{4-[(Z)-{[(4-amino-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl)carbonyl]hydrazono}methyl]-2-bromo-6-ethoxyphenoxy}propanoate

  • Molecular FormulaC27H28BrN7O5
  • Average mass610.459 Da
  • Monoisotopic mass609.133545 Da
  • ChemSpider ID100409798

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{4-[(Z)-{[(4-Amino-7-méthyl-8-phénylpyrazolo[5,1-c][1,2,4]triazin-3-yl)carbonyl]hydrazono}méthyl]-2-bromo-6-éthoxyphénoxy}propanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-{4-[(Z)-{[(4-amino-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl)carbonyl]hydrazono}methyl]-2-bromo-6-ethoxyphenoxy}propanoate [ACD/IUPAC Name]
Ethyl-2-{4-[(Z)-{[(4-amino-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl)carbonyl]hydrazono}methyl]-2-brom-6-ethoxyphenoxy}propanoat [German] [ACD/IUPAC Name]
Pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid, 4-amino-7-methyl-8-phenyl-, 2-[(1Z)-[3-bromo-5-ethoxy-4-(2-ethoxy-1-methyl-2-oxoethoxy)phenyl]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: 1.663
Molar Refractivity: 150.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 591.14
ACD/KOC (pH 5.5): 3233.85
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 62.23
ACD/KOC (pH 7.4): 340.45
Polar Surface Area: 155 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 406.6±7.0 cm3

Click to predict properties on the Chemicalize site


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