ChemSpider 2D Image | 6-{[4-(2-Fluorophenyl)-1-piperazinyl]sulfonyl}-4-methyl-2H-1,4-benzoxazin-3(4H)-one | C19H20FN3O4S

6-{[4-(2-Fluorophenyl)-1-piperazinyl]sulfonyl}-4-methyl-2H-1,4-benzoxazin-3(4H)-one

  • Molecular FormulaC19H20FN3O4S
  • Average mass405.443 Da
  • Monoisotopic mass405.115845 Da
  • ChemSpider ID21588074

More details:

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

2H-1,4-Benzoxazin-3(4H)-one, 6-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]-4-methyl- [ACD/Index Name]
6-{[4-(2-Fluorophenyl)-1-piperazinyl]sulfonyl}-4-methyl-2H-1,4-benzoxazin-3(4H)-one [ACD/IUPAC Name]
6-{[4-(2-Fluorophényl)-1-pipérazinyl]sulfonyl}-4-méthyl-2H-1,4-benzoxazin-3(4H)-one [French] [ACD/IUPAC Name]
6-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-4-methyl-2H-1,4-benzoxazin-3(4H)-one
6-{[4-(2-Fluorphenyl)-1-piperazinyl]sulfonyl}-4-methyl-2H-1,4-benzoxazin-3(4H)-on [German] [ACD/IUPAC Name]
6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4-methyl-1,4-benzoxazin-3-one
6-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
6-{[4-(2-fluorophenyl)piperazinyl]sulfonyl}-4-methyl-2H-benzo[e]1,4-oxazaperhydroin-3-one
924847-80-3 [RN]
MFCD08741714
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 655.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 96.5±3.0 kJ/mol
    Flash Point: 350.2±34.3 °C
    Index of Refraction: 1.624
    Molar Refractivity: 102.2±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.72
    ACD/LogD (pH 5.5): 2.19
    ACD/BCF (pH 5.5): 25.93
    ACD/KOC (pH 5.5): 341.25
    ACD/LogD (pH 7.4): 2.26
    ACD/BCF (pH 7.4): 30.56
    ACD/KOC (pH 7.4): 402.19
    Polar Surface Area: 79 Å2
    Polarizability: 40.5±0.5 10-24cm3
    Surface Tension: 54.5±3.0 dyne/cm
    Molar Volume: 289.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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