ChemSpider 2D Image | Methyl 3-[4-hydroxy-2-oxo-7-(trifluoromethyl)-2H-pyrido[1,2-a]pyrimidin-3-yl]-3-(4-methoxyphenyl)propanoate | C20H17F3N2O5

Methyl 3-[4-hydroxy-2-oxo-7-(trifluoromethyl)-2H-pyrido[1,2-a]pyrimidin-3-yl]-3-(4-methoxyphenyl)propanoate

  • Molecular FormulaC20H17F3N2O5
  • Average mass422.355 Da
  • Monoisotopic mass422.108948 Da
  • ChemSpider ID32080179

More details:

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

2H-Pyrido[1,2-a]pyrimidine-3-propanoic acid, 4-hydroxy-β-(4-methoxyphenyl)-2-oxo-7-(trifluoromethyl)-, methyl ester [ACD/Index Name]
3-[4-Hydroxy-2-oxo-7-(trifluorométhyl)-2H-pyrido[1,2-a]pyrimidin-3-yl]-3-(4-méthoxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[4-hydroxy-2-oxo-7-(trifluoromethyl)-2H-pyrido[1,2-a]pyrimidin-3-yl]-3-(4-methoxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-[4-hydroxy-2-oxo-7-(trifluormethyl)-2H-pyrido[1,2-a]pyrimidin-3-yl]-3-(4-methoxyphenyl)propanoat [German] [ACD/IUPAC Name]
methyl 3-[4-hydroxy-2-oxo-7-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]-3-(4-methoxyphenyl)propanoate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 508.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.0±3.0 kJ/mol
    Flash Point: 261.3±32.9 °C
    Index of Refraction: 1.572
    Molar Refractivity: 99.2±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.06
    ACD/LogD (pH 5.5): 1.68
    ACD/BCF (pH 5.5): 6.33
    ACD/KOC (pH 5.5): 66.01
    ACD/LogD (pH 7.4): -0.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.14
    Polar Surface Area: 88 Å2
    Polarizability: 39.3±0.5 10-24cm3
    Surface Tension: 43.0±7.0 dyne/cm
    Molar Volume: 301.5±7.0 cm3

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