ChemSpider 2D Image | ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate | C26H27F3N2O6

ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate

  • Molecular FormulaC26H27F3N2O6
  • Average mass520.498 Da
  • Monoisotopic mass520.182129 Da
  • ChemSpider ID4099856

More details:

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

3-[4-(Ethoxycarbonyl)phenoxy]-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-(trifluormethyl)-4H-chromen-7-olat [German] [ACD/IUPAC Name]
3-[4-(Ethoxycarbonyl)phenoxy]-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate [ACD/IUPAC Name]
3-[4-(Éthoxycarbonyl)phénoxy]-8-[(4-éthylpipérazin-1-ium-1-yl)méthyl]-4-oxo-2-(trifluorométhyl)-4H-chromén-7-olate [French] [ACD/IUPAC Name]
benzoic acid, 4-[[8-[(4-ethyl-1-piperazinyl)methyl]-7-hydroxy-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-3-yl]oxy]-, ethyl ester
ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate
Piperazinium, 1-[[3-[4-(ethoxycarbonyl)phenoxy]-7-hydroxy-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-8-yl]methyl]-4-ethyl-, inner salt [ACD/Index Name]
4-[8-(4-Ethyl-piperazin-1-ylmethyl)-7-hydroxy-4-oxo-2-trifluoromethyl-4H-chromen-3-yloxy]-benzoic acid ethyl ester
846585-57-7 [RN]
ethyl 4-[8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate
ethyl 4-{8-[(4-ethylpiperazinyl)methyl]-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yloxy}benzoate

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

    Density:
    Boiling Point: 585.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.7±3.0 kJ/mol
    Flash Point: 308.0±30.1 °C
    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 5.73
    ACD/LogD (pH 5.5): 2.40
    ACD/BCF (pH 5.5): 11.36
    ACD/KOC (pH 5.5): 45.77
    ACD/LogD (pH 7.4): 2.95
    ACD/BCF (pH 7.4): 40.82
    ACD/KOC (pH 7.4): 164.46
    Polar Surface Area: 93 Å2
    Polarizability:
    Surface Tension:
    Molar Volume:

    Click to predict properties on the Chemicalize site


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