ChemSpider 2D Image | 2-(Ethylsulfanyl)ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C23H28BrNO5S

2-(Ethylsulfanyl)ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC23H28BrNO5S
  • Average mass510.441 Da
  • Monoisotopic mass509.087158 Da
  • ChemSpider ID2139954

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

2-(Ethylsulfanyl)ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
2-(Ethylsulfanyl)ethyl-4-(3-brom-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-(ethylthio)ethyl ester [ACD/Index Name]
4-(3-Bromo-5-éthoxy-4-hydroxyphényl)-2-méthyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de 2-(éthylsulfanyl)éthyle [French] [ACD/IUPAC Name]
2-(ethylsulfanyl)ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylthio)ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
2-(ethylthio)ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-ethylsulfanylethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
2-ethylthioethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate
306285-81-4 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AG-690/12867575 [DBID]
BAS 01052115 [DBID]
ChemDiv1_002399 [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: 623.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.7±3.0 kJ/mol
    Flash Point: 330.9±31.5 °C
    Index of Refraction: 1.625
    Molar Refractivity: 124.9±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 3.65
    ACD/LogD (pH 5.5): 4.67
    ACD/BCF (pH 5.5): 2076.67
    ACD/KOC (pH 5.5): 8241.27
    ACD/LogD (pH 7.4): 4.62
    ACD/BCF (pH 7.4): 1874.34
    ACD/KOC (pH 7.4): 7438.33
    Polar Surface Area: 110 Å2
    Polarizability: 49.5±0.5 10-24cm3
    Surface Tension: 59.2±5.0 dyne/cm
    Molar Volume: 353.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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