ChemSpider 2D Image | Methyl 6-{[(2-{[(5-{[(4-methoxyphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazino)carbonyl]amino}hexanoate | C26H33N7O5S

Methyl 6-{[(2-{[(5-{[(4-methoxyphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazino)carbonyl]amino}hexanoate

  • Molecular FormulaC26H33N7O5S
  • Average mass555.649 Da
  • Monoisotopic mass555.226379 Da
  • ChemSpider ID102211141

More details:

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

6-{[(2-{2-[(5-{[(4-Méthoxyphényl)amino]méthyl}-4-phényl-4H-1,2,4-triazol-3-yl)sulfanyl]acétyl}hydrazino)carbonyl]amino}hexanoate de méthyle [French] [ACD/IUPAC Name]
Hexanoic acid, 6-[[[2-[2-[[5-[[(4-methoxyphenyl)amino]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]hydrazinyl]carbonyl]amino]-, methyl ester [ACD/Index Name]
Methyl 6-{[(2-{[(5-{[(4-methoxyphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazino)carbonyl]amino}hexanoate [ACD/IUPAC Name]
Methyl-6-{[(2-{[(5-{[(4-methoxyphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazino)carbonyl]amino}hexanoat [German] [ACD/IUPAC 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: 1.629
Molar Refractivity: 149.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 42.22
ACD/KOC (pH 5.5): 489.64
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 4.92
ACD/KOC (pH 7.4): 57.03
Polar Surface Area: 174 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 421.5±7.0 cm3

Click to predict properties on the Chemicalize site


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