ChemSpider 2D Image | 2-[(5-{[(4-Methylphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-{(Z)-[3-methyl-4-(1-pyrrolidinyl)phenyl]methylene}acetohydrazide | C30H33N7OS

2-[(5-{[(4-Methylphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-{(Z)-[3-methyl-4-(1-pyrrolidinyl)phenyl]methylene}acetohydrazide

  • Molecular FormulaC30H33N7OS
  • Average mass539.694 Da
  • Monoisotopic mass539.246704 Da
  • ChemSpider ID82684723

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(5-{[(4-Methylphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-{(Z)-[3-methyl-4-(1-pyrrolidinyl)phenyl]methylen}acetohydrazid [German] [ACD/IUPAC Name]
2-[(5-{[(4-Methylphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-{(Z)-[3-methyl-4-(1-pyrrolidinyl)phenyl]methylene}acetohydrazide [ACD/IUPAC Name]
2-[(5-{[(4-Méthylphényl)amino]méthyl}-4-phényl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-{(Z)-[3-méthyl-4-(1-pyrrolidinyl)phényl]méthylène}acétohydrazide [French] [ACD/IUPAC Name]
Acetic acid, 2-[[5-[[(4-methylphenyl)amino]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-[3-methyl-4-(1-pyrrolidinyl)phenyl]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: 1.669
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: 6.96
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5734.17
ACD/KOC (pH 5.5): 16867.26
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 5961.39
ACD/KOC (pH 7.4): 17535.64
Polar Surface Area: 113 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 427.4±7.0 cm3

Click to predict properties on the Chemicalize site


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