ChemSpider 2D Image | 1-(4-{[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}-1-piperazinyl)-4-methyl-1-pentanone | C21H25ClFN3O3

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

  • Molecular FormulaC21H25ClFN3O3
  • Average mass421.893 Da
  • Monoisotopic mass421.156860 Da
  • ChemSpider ID30700713

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 597.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 314.9±30.1 °C
Index of Refraction: 1.552
Molar Refractivity: 107.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.44
ACD/KOC (pH 5.5): 551.30
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.44
ACD/KOC (pH 7.4): 551.30
Polar Surface Area: 67 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 337.0±3.0 cm3

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