ChemSpider 2D Image | 2-{[4-(3-Chloro-4-methylphenyl)-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-furoyl)-1-piperazinyl]ethanone | C26H23Cl2N5O3S

2-{[4-(3-Chloro-4-methylphenyl)-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-furoyl)-1-piperazinyl]ethanone

  • Molecular FormulaC26H23Cl2N5O3S
  • Average mass556.464 Da
  • Monoisotopic mass555.089844 Da
  • ChemSpider ID1806417

More details:

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

2-{[4-(3-Chlor-4-methylphenyl)-5-(4-chlorphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-furoyl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
2-{[4-(3-Chloro-4-methylphenyl)-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-furoyl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
2-{[4-(3-Chloro-4-méthylphényl)-5-(4-chlorophényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-furoyl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[[4-(3-chloro-4-methylphenyl)-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-1-[4-(2-furanylcarbonyl)-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 773.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 421.7±35.7 °C
Index of Refraction: 1.697
Molar Refractivity: 147.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 4015.02
ACD/KOC (pH 5.5): 13216.39
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 4015.04
ACD/KOC (pH 7.4): 13216.45
Polar Surface Area: 110 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 57.8±7.0 dyne/cm
Molar Volume: 383.1±7.0 cm3

Click to predict properties on the Chemicalize site


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