ChemSpider 2D Image | 4-[(E)-{[3-(4-Methoxyphenyl)-1H-pyrazol-4-yl]methylene}amino]-2-[(4-methyl-1-piperazinyl)methyl]-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione | C25H28N8OS

4-[(E)-{[3-(4-Methoxyphenyl)-1H-pyrazol-4-yl]methylene}amino]-2-[(4-methyl-1-piperazinyl)methyl]-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC25H28N8OS
  • Average mass488.608 Da
  • Monoisotopic mass488.210663 Da
  • ChemSpider ID24628958

  • Double-bond stereo - Double-bond stereo

More details:

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

3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-[[(1E)-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylene]amino]-2-[(4-methyl-1-piperazinyl)methyl]-5-phenyl- [ACD/Index Name]
4-[(E)-{[3-(4-Methoxyphenyl)-1H-pyrazol-4-yl]methylen}amino]-2-[(4-methyl-1-piperazinyl)methyl]-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-[(E)-{[3-(4-Methoxyphenyl)-1H-pyrazol-4-yl]methylene}amino]-2-[(4-methyl-1-piperazinyl)methyl]-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-[(E)-{[3-(4-Méthoxyphényl)-1H-pyrazol-4-yl]méthylène}amino]-2-[(4-méthyl-1-pipérazinyl)méthyl]-5-phényl-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [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: 673.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 361.3±34.3 °C
Index of Refraction: 1.696
Molar Refractivity: 141.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.96
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 25.97
ACD/KOC (pH 7.4): 285.29
Polar Surface Area: 108 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 367.4±7.0 cm3

Click to predict properties on the Chemicalize site


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