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

2-Methoxy-4-[(Z)-({[(5-{1-[(4-methoxyphenyl)amino]ethyl}-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 ID100382180

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Methoxy-4-[(Z)-({[(5-{1-[(4-methoxyphenyl)amino]ethyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazono)methyl]phenyl cyclohexanecarboxylate [ACD/IUPAC Name]
2-Methoxy-4-[(Z)-({[(5-{1-[(4-methoxyphenyl)amino]ethyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazono)methyl]phenyl-cyclohexancarboxylat [German] [ACD/IUPAC Name]
Cyclohexanecarboxylate de 2-méthoxy-4-[(Z)-({2-[(5-{1-[(4-méthoxyphényl)amino]éthyl}-4-phényl-4H-1,2,4-triazol-3-yl)sulfanyl]acétyl}hydrazono)méthyl]phényle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 2-methoxy-4-[(Z)-[2-[2-[[5-[1-[(4-methoxyphenyl)amino]ethyl]-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: 178.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 6.03
ACD/BCF (pH 5.5): 22389.62
ACD/KOC (pH 5.5): 45027.34
ACD/LogD (pH 7.4): 6.03
ACD/BCF (pH 7.4): 22723.61
ACD/KOC (pH 7.4): 45699.02
Polar Surface Area: 154 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 496.4±7.0 cm3

Click to predict properties on the Chemicalize site


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