ChemSpider 2D Image | 1-(4-{[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}-1-piperazinyl)-2-methyl-1-propanone | C19H21ClFN3O3

1-(4-{[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}-1-piperazinyl)-2-methyl-1-propanone

  • Molecular FormulaC19H21ClFN3O3
  • Average mass393.840 Da
  • Monoisotopic mass393.125549 Da
  • ChemSpider ID30560545

More details:

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

1-(4-{[3-(2-Chlor-6-fluorphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}-1-piperazinyl)-2-methyl-1-propanon [German] [ACD/IUPAC Name]
1-(4-{[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}-1-piperazinyl)-2-methyl-1-propanone [ACD/IUPAC Name]
1-(4-{[3-(2-Chloro-6-fluorophényl)-5-méthyl-1,2-oxazol-4-yl]carbonyl}-1-pipérazinyl)-2-méthyl-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]-1-piperazinyl]-2-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 581.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 305.4±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 98.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.37
ACD/KOC (pH 5.5): 234.47
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.37
ACD/KOC (pH 7.4): 234.47
Polar Surface Area: 67 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 304.0±3.0 cm3

Click to predict properties on the Chemicalize site


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