ChemSpider 2D Image | 1-{[4-(2-Chlorophenyl)-1-piperazinyl]methyl}-4-ethyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one | C22H23ClN6O

1-{[4-(2-Chlorophenyl)-1-piperazinyl]methyl}-4-ethyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one

  • Molecular FormulaC22H23ClN6O
  • Average mass422.911 Da
  • Monoisotopic mass422.162201 Da
  • ChemSpider ID22355676

More details:

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

[1,2,4]Triazolo[4,3-a]quinazolin-5(4H)-one, 1-[[4-(2-chlorophenyl)-1-piperazinyl]methyl]-4-ethyl- [ACD/Index Name]
1-{[4-(2-Chlorophenyl)-1-piperazinyl]methyl}-4-ethyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one [ACD/IUPAC Name]
1-{[4-(2-Chlorophényl)-1-pipérazinyl]méthyl}-4-éthyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one [French] [ACD/IUPAC Name]
1-{[4-(2-Chlorphenyl)-1-piperazinyl]methyl}-4-ethyl[1,2,4]triazolo[4,3-a]chinazolin-5(4H)-on [German] [ACD/IUPAC 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: 650.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.4±34.3 °C
Index of Refraction: 1.712
Molar Refractivity: 118.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 167.84
ACD/KOC (pH 5.5): 1149.12
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 302.14
ACD/KOC (pH 7.4): 2068.55
Polar Surface Area: 58 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 302.3±7.0 cm3

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