ChemSpider 2D Image | 2-[(5-{[(3-Chlorophenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(Z)-{4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl}methylene]acetohydrazide | C25H32ClN7O3S

2-[(5-{[(3-Chlorophenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(Z)-{4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl}methylene]acetohydrazide

  • Molecular FormulaC25H32ClN7O3S
  • Average mass546.085 Da
  • Monoisotopic mass545.197571 Da
  • ChemSpider ID100109345

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(5-{[(3-Chlorophenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(Z)-{4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl}methylene]acetohydrazide [ACD/IUPAC Name]
2-[(5-{[(3-Chlorophényl)amino]méthyl}-4-méthyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(Z)-{4-[2-(diméthylamino)éthoxy]-3-éthoxyphényl}méthylène]acétohydrazide [French] [ACD/IUPAC Name]
2-[(5-{[(3-Chlorphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(Z)-{4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl}methylen]acetohydrazid [German] [ACD/IUPAC Name]
Acetic acid, 2-[[5-[[(3-chlorophenyl)amino]methyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]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: 1.617
Molar Refractivity: 148.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.71
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 21.15
ACD/KOC (pH 7.4): 136.92
Polar Surface Area: 131 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 424.7±7.0 cm3

Click to predict properties on the Chemicalize site


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