ChemSpider 2D Image | 2-{[5-(3-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(Z)-[2-(4-fluorobenzoyl)-1-benzofuran-5-yl]methylene}acetohydrazide | C27H19ClFN5O3S

2-{[5-(3-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(Z)-[2-(4-fluorobenzoyl)-1-benzofuran-5-yl]methylene}acetohydrazide

  • Molecular FormulaC27H19ClFN5O3S
  • Average mass547.988 Da
  • Monoisotopic mass547.088135 Da
  • ChemSpider ID108567111

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[5-(3-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(Z)-[2-(4-fluorobenzoyl)-1-benzofuran-5-yl]methylene}acetohydrazide [ACD/IUPAC Name]
2-{[5-(3-Chlorophényl)-4-méthyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(Z)-[2-(4-fluorobenzoyl)-1-benzofuran-5-yl]méthylène}acétohydrazide [French] [ACD/IUPAC Name]
2-{[5-(3-Chlorphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(Z)-[2-(4-fluorbenzoyl)-1-benzofuran-5-yl]methylen}acetohydrazid [German] [ACD/IUPAC Name]
Acetic acid, 2-[[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-[2-(4-fluorobenzoyl)-5-benzofuranyl]methylene]hydrazide [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.691
Molar Refractivity: 145.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 8062.28
ACD/KOC (pH 5.5): 21768.60
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 8061.04
ACD/KOC (pH 7.4): 21765.26
Polar Surface Area: 128 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 380.5±7.0 cm3

Click to predict properties on the Chemicalize site


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