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

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

  • Molecular FormulaC26H33N7O5S
  • Average mass555.649 Da
  • Monoisotopic mass555.226379 Da
  • ChemSpider ID102211772

More details:

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

Methyl N-[(2-{[(5-{1-[(4-methoxyphenyl)amino]ethyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazino)carbonyl]valinate [ACD/IUPAC Name]
Methyl-N-[(2-{[(5-{1-[(4-methoxyphenyl)amino]ethyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazino)carbonyl]valinat [German] [ACD/IUPAC Name]
N-[(2-{2-[(5-{1-[(4-Méthoxyphényl)amino]éthyl}-4-phényl-4H-1,2,4-triazol-3-yl)sulfanyl]acétyl}hydrazino)carbonyl]valinate de méthyle [French] [ACD/IUPAC Name]
Valine, N-[[2-[2-[[5-[1-[(4-methoxyphenyl)amino]ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]hydrazinyl]carbonyl]-, methyl 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: 1.631
Molar Refractivity: 149.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 91.32
ACD/KOC (pH 5.5): 857.87
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 15.47
ACD/KOC (pH 7.4): 145.35
Polar Surface Area: 174 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 418.9±7.0 cm3

Click to predict properties on the Chemicalize site


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