ChemSpider 2D Image | [1-(2,6-Dichlorophenyl)-5-ethyl-1H-1,2,4-triazol-3-yl]{4-[(3-methyl-1,2-oxazol-5-yl)carbonyl]-1-piperazinyl}methanone | C20H20Cl2N6O3

[1-(2,6-Dichlorophenyl)-5-ethyl-1H-1,2,4-triazol-3-yl]{4-[(3-methyl-1,2-oxazol-5-yl)carbonyl]-1-piperazinyl}methanone

  • Molecular FormulaC20H20Cl2N6O3
  • Average mass463.317 Da
  • Monoisotopic mass462.097382 Da
  • ChemSpider ID78207521

More details:

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

[1-(2,6-Dichlorophenyl)-5-ethyl-1H-1,2,4-triazol-3-yl]{4-[(3-methyl-1,2-oxazol-5-yl)carbonyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
[1-(2,6-Dichlorophényl)-5-éthyl-1H-1,2,4-triazol-3-yl]{4-[(3-méthyl-1,2-oxazol-5-yl)carbonyl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
[1-(2,6-Dichlorphenyl)-5-ethyl-1H-1,2,4-triazol-3-yl]{4-[(3-methyl-1,2-oxazol-5-yl)carbonyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
Methanone, [1-(2,6-dichlorophenyl)-5-ethyl-1H-1,2,4-triazol-3-yl][4-[(3-methyl-5-isoxazolyl)carbonyl]-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: 702.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 378.7±35.7 °C
Index of Refraction: 1.698
Molar Refractivity: 117.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.95
ACD/KOC (pH 5.5): 229.54
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.95
ACD/KOC (pH 7.4): 229.55
Polar Surface Area: 97 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 304.7±7.0 cm3

Click to predict properties on the Chemicalize site


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