ChemSpider 2D Image | 2-Hydroxy-3-{[4-(methylsulfonyl)-1-piperazinyl]methyl}-5-(4-thiomorpholinylmethyl)-4H-pyran-4-one | C16H25N3O5S2

2-Hydroxy-3-{[4-(methylsulfonyl)-1-piperazinyl]methyl}-5-(4-thiomorpholinylmethyl)-4H-pyran-4-one

  • Molecular FormulaC16H25N3O5S2
  • Average mass403.517 Da
  • Monoisotopic mass403.123566 Da
  • ChemSpider ID31100403

More details:

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

2-Hydroxy-3-{[4-(methylsulfonyl)-1-piperazinyl]methyl}-5-(4-thiomorpholinylmethyl)-4H-pyran-4-on [German] [ACD/IUPAC Name]
2-Hydroxy-3-{[4-(methylsulfonyl)-1-piperazinyl]methyl}-5-(4-thiomorpholinylmethyl)-4H-pyran-4-one [ACD/IUPAC Name]
2-Hydroxy-3-{[4-(méthylsulfonyl)-1-pipérazinyl]méthyl}-5-(4-thiomorpholinylméthyl)-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 2-hydroxy-3-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-5-(4-thiomorpholinylmethyl)- [ACD/Index Name]
1401593-23-4 [RN]
2-hydroxy-3-((4-(methylsulfonyl)piperazin-1-yl)methyl)-5-(thiomorpholinomethyl)-4H-pyran-4-one
2-HYDROXY-3-[(4-METHANESULFONYLPIPERAZIN-1-YL)METHYL]-5-(THIOMORPHOLIN-4-YLMETHYL)PYRAN-4-ONE
2-HYDROXY-3-[(4-METHANESULFONYLPIPERAZIN-1-YL)METHYL]-5-[(THIOMORPHOLIN-4-YL)METHYL]-4H-PYRAN-4-ONE
2-hydroxy-3-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-5-(thiomorpholin-4-ylmethyl)-4H-pyran-4-one

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 606.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.9 mmHg at 25°C
    Enthalpy of Vaporization: 103.4±6.0 kJ/mol
    Flash Point: 320.7±34.3 °C
    Index of Refraction: 1.655
    Molar Refractivity: 101.0±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.95
    ACD/LogD (pH 5.5): -0.88
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.31
    ACD/LogD (pH 7.4): -2.46
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 124 Å2
    Polarizability: 40.0±0.5 10-24cm3
    Surface Tension: 71.5±5.0 dyne/cm
    Molar Volume: 275.1±5.0 cm3

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