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

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

  • Molecular FormulaC30H33N7OS
  • Average mass539.694 Da
  • Monoisotopic mass539.246704 Da
  • ChemSpider ID100040412

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[5-(Anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(Z)-[4-(4-methyl-1-piperidinyl)phenyl]methylen}acetohydrazid [German] [ACD/IUPAC Name]
2-{[5-(Anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(Z)-[4-(4-methyl-1-piperidinyl)phenyl]methylene}acetohydrazide [ACD/IUPAC Name]
2-{[5-(Anilinométhyl)-4-phényl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(Z)-[4-(4-méthyl-1-pipéridinyl)phényl]méthylène}acétohydrazide [French] [ACD/IUPAC Name]
Acetic acid, 2-[[4-phenyl-5-[(phenylamino)methyl]-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-[4-(4-methyl-1-piperidinyl)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: 159.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8361.38
ACD/KOC (pH 5.5): 22023.55
ACD/LogD (pH 7.4): 5.49
ACD/BCF (pH 7.4): 8791.14
ACD/KOC (pH 7.4): 23155.52
Polar Surface Area: 113 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 428.3±7.0 cm3

Click to predict properties on the Chemicalize site


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