ChemSpider 2D Image | 2-[(4-Allyl-5-{1-[(4-methylphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-{(Z)-[4-(4-ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-hydroxyphenyl]methylene}acetohydrazide | C28H33N9O2S

2-[(4-Allyl-5-{1-[(4-methylphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-{(Z)-[4-(4-ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-hydroxyphenyl]methylene}acetohydrazide

  • Molecular FormulaC28H33N9O2S
  • Average mass559.686 Da
  • Monoisotopic mass559.247803 Da
  • ChemSpider ID100080900

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(4-Allyl-5-{1-[(4-methylphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-{(Z)-[4-(4-ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-hydroxyphenyl]methylen}acetohydrazid [German] [ACD/IUPAC Name]
2-[(4-Allyl-5-{1-[(4-methylphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-{(Z)-[4-(4-ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-hydroxyphenyl]methylene}acetohydrazide [ACD/IUPAC Name]
2-[(4-Allyl-5-{1-[(4-méthylphényl)amino]éthyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-{(Z)-[4-(4-éthyl-5-méthyl-2H-1,2,3-triazol-2-yl)-2-hydroxyphényl]méthylène}acétohydrazide [French] [ACD/IUPAC Name]
Acetic acid, 2-[[5-[1-[(4-methylphenyl)amino]ethyl]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-[4-(4-ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-hydroxyphenyl]methylene]hydrazide [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 159.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2838.17
ACD/KOC (pH 5.5): 10212.05
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1461.65
ACD/KOC (pH 7.4): 5259.16
Polar Surface Area: 160 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 427.8±7.0 cm3

Click to predict properties on the Chemicalize site


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