ChemSpider 2D Image | 3-(4-Biphenylyloxy)-7-hydroxy-8-[(4-methyl-1-piperazinyl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one | C28H25F3N2O4

3-(4-Biphenylyloxy)-7-hydroxy-8-[(4-methyl-1-piperazinyl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

  • Molecular FormulaC28H25F3N2O4
  • Average mass510.504 Da
  • Monoisotopic mass510.176636 Da
  • ChemSpider ID4479869

More details:

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

3-(4-Biphenylyloxy)-7-hydroxy-8-[(4-methyl-1-piperazinyl)methyl]-2-(trifluormethyl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
3-(4-Biphenylyloxy)-7-hydroxy-8-[(4-methyl-1-piperazinyl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one [ACD/IUPAC Name]
3-(4-Biphénylyloxy)-7-hydroxy-8-[(4-méthyl-1-pipérazinyl)méthyl]-2-(trifluorométhyl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
3-(biphenyl-4-yloxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one
4H-1-Benzopyran-4-one, 3-([1,1'-biphenyl]-4-yloxy)-7-hydroxy-8-[(4-methyl-1-piperazinyl)methyl]-2-(trifluoromethyl)- [ACD/Index Name]
441737-90-2 [RN]
7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one
7-hydroxy-8-[(4-methylpiperazinyl)methyl]-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one
8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate
AC1NT1LC
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EU-0008944 [DBID]
UNM000000598201 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 595.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 92.1±3.0 kJ/mol
    Flash Point: 314.2±30.1 °C
    Index of Refraction: 1.609
    Molar Refractivity: 130.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 6.20
    ACD/LogD (pH 5.5): 2.94
    ACD/BCF (pH 5.5): 31.72
    ACD/KOC (pH 5.5): 104.77
    ACD/LogD (pH 7.4): 3.43
    ACD/BCF (pH 7.4): 98.53
    ACD/KOC (pH 7.4): 325.44
    Polar Surface Area: 62 Å2
    Polarizability: 51.7±0.5 10-24cm3
    Surface Tension: 50.7±3.0 dyne/cm
    Molar Volume: 376.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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