ChemSpider 2D Image | 2-[(5-{[(3-Chlorophenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-{(Z)-[1-(4-methylbenzyl)-1H-indol-6-yl]methylene}acetohydrazide | C29H28ClN7OS

2-[(5-{[(3-Chlorophenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-{(Z)-[1-(4-methylbenzyl)-1H-indol-6-yl]methylene}acetohydrazide

  • Molecular FormulaC29H28ClN7OS
  • Average mass558.097 Da
  • Monoisotopic mass557.176453 Da
  • ChemSpider ID100109493

  • 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)-[1-(4-methylbenzyl)-1H-indol-6-yl]methylene}acetohydrazide [ACD/IUPAC Name]
2-[(5-{[(3-Chlorophényl)amino]méthyl}-4-méthyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-{(Z)-[1-(4-méthylbenzyl)-1H-indol-6-yl]méthylène}acétohydrazide [French] [ACD/IUPAC Name]
2-[(5-{[(3-Chlorphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-{(Z)-[1-(4-methylbenzyl)-1H-indol-6-yl]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)-[1-[(4-methylphenyl)methyl]-1H-indol-6-yl]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: 1.683
Molar Refractivity: 159.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.27
ACD/LogD (pH 5.5): 6.06
ACD/BCF (pH 5.5): 23735.28
ACD/KOC (pH 5.5): 47146.04
ACD/LogD (pH 7.4): 6.06
ACD/BCF (pH 7.4): 23742.26
ACD/KOC (pH 7.4): 47159.91
Polar Surface Area: 114 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 420.6±7.0 cm3

Click to predict properties on the Chemicalize site


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