ChemSpider 2D Image | 2-Ethoxy-4-[(Z)-({[(5-{[(2-methoxyphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazono)methyl]phenyl cyclohexanecarboxylate | C34H38N6O5S

2-Ethoxy-4-[(Z)-({[(5-{[(2-methoxyphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazono)methyl]phenyl cyclohexanecarboxylate

  • Molecular FormulaC34H38N6O5S
  • Average mass642.768 Da
  • Monoisotopic mass642.262451 Da
  • ChemSpider ID100372066

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Ethoxy-4-[(Z)-({[(5-{[(2-methoxyphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazono)methyl]phenyl cyclohexanecarboxylate [ACD/IUPAC Name]
2-Ethoxy-4-[(Z)-({[(5-{[(2-methoxyphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazono)methyl]phenyl-cyclohexancarboxylat [German] [ACD/IUPAC Name]
Cyclohexanecarboxylate de 2-éthoxy-4-[(Z)-({2-[(5-{[(2-méthoxyphényl)amino]méthyl}-4-phényl-4H-1,2,4-triazol-3-yl)sulfanyl]acétyl}hydrazono)méthyl]phényle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 2-ethoxy-4-[(Z)-[2-[2-[[5-[[(2-methoxyphenyl)amino]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]hydrazinylidene]methyl]phenyl ester [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: 1.640
Molar Refractivity: 179.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 8.19
ACD/LogD (pH 5.5): 6.62
ACD/BCF (pH 5.5): 63097.98
ACD/KOC (pH 5.5): 94903.67
ACD/LogD (pH 7.4): 6.62
ACD/BCF (pH 7.4): 63162.65
ACD/KOC (pH 7.4): 95000.94
Polar Surface Area: 154 Å2
Polarizability: 71.0±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 497.3±7.0 cm3

Click to predict properties on the Chemicalize site


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