ChemSpider 2D Image | 2-[2-(4-Chlorophenyl)-2-oxoethyl]-4-[4-(4-hydroxyphenyl)-1-piperazinyl]-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one | C21H22ClN5O3

2-[2-(4-Chlorophenyl)-2-oxoethyl]-4-[4-(4-hydroxyphenyl)-1-piperazinyl]-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC21H22ClN5O3
  • Average mass427.884 Da
  • Monoisotopic mass427.141113 Da
  • ChemSpider ID57642153

More details:

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

2-[2-(4-Chlorophenyl)-2-oxoethyl]-4-[4-(4-hydroxyphenyl)-1-piperazinyl]-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
2-[2-(4-Chlorophényl)-2-oxoéthyl]-4-[4-(4-hydroxyphényl)-1-pipérazinyl]-5-méthyl-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
2-[2-(4-Chlorphenyl)-2-oxoethyl]-4-[4-(4-hydroxyphenyl)-1-piperazinyl]-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
3H-1,2,4-Triazol-3-one, 2-[2-(4-chlorophenyl)-2-oxoethyl]-2,4-dihydro-4-[4-(4-hydroxyphenyl)-1-piperazinyl]-5-methyl- [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: 618.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 327.9±34.3 °C
Index of Refraction: 1.679
Molar Refractivity: 115.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.16
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 304.5±7.0 cm3

Click to predict properties on the Chemicalize site


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