ChemSpider 2D Image | 5-(3,3-Dimethyl-2-oxobutoxy)-2-{[4-(2-methoxyphenyl)-1-piperazinyl]methyl}-4H-pyran-4-one | C23H30N2O5

5-(3,3-Dimethyl-2-oxobutoxy)-2-{[4-(2-methoxyphenyl)-1-piperazinyl]methyl}-4H-pyran-4-one

  • Molecular FormulaC23H30N2O5
  • Average mass414.495 Da
  • Monoisotopic mass414.215485 Da
  • ChemSpider ID26038614

More details:

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

4H-Pyran-4-one, 5-(3,3-dimethyl-2-oxobutoxy)-2-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]- [ACD/Index Name]
5-(3,3-Dimethyl-2-oxobutoxy)-2-{[4-(2-methoxyphenyl)-1-piperazinyl]methyl}-4H-pyran-4-on [German] [ACD/IUPAC Name]
5-(3,3-Dimethyl-2-oxobutoxy)-2-{[4-(2-methoxyphenyl)-1-piperazinyl]methyl}-4H-pyran-4-one [ACD/IUPAC Name]
5-(3,3-Diméthyl-2-oxobutoxy)-2-{[4-(2-méthoxyphényl)-1-pipérazinyl]méthyl}-4H-pyran-4-one [French] [ACD/IUPAC Name]
1190253-56-5 [RN]
5-(3,3-dimethyl-2-oxobutoxy)-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyran-4-one
5-(3,3-Dimethyl-2-oxo-butoxy)-2-[4-(2-methoxy-phenyl)-piperazin-1-ylmethyl]-pyran-4-one
5-(3,3-dimethyl-2-oxobutoxy)-2-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-4H-pyran-4-one

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 592.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.3±3.0 kJ/mol
    Flash Point: 312.1±30.1 °C
    Index of Refraction: 1.582
    Molar Refractivity: 114.0±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.13
    ACD/LogD (pH 5.5): 0.50
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.79
    ACD/LogD (pH 7.4): 1.95
    ACD/BCF (pH 7.4): 15.81
    ACD/KOC (pH 7.4): 217.73
    Polar Surface Area: 68 Å2
    Polarizability: 45.2±0.5 10-24cm3
    Surface Tension: 51.0±5.0 dyne/cm
    Molar Volume: 341.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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