ChemSpider 2D Image | Ethyl 1-[3-(1-cyano-2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethyl)-2-quinoxalinyl]-4-piperidinecarboxylate | C28H31N5O4

Ethyl 1-[3-(1-cyano-2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethyl)-2-quinoxalinyl]-4-piperidinecarboxylate

  • Molecular FormulaC28H31N5O4
  • Average mass501.577 Da
  • Monoisotopic mass501.237610 Da
  • ChemSpider ID2586632

More details:

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

1-[3-(1-Cyano-2-{[2-(4-méthoxyphényl)éthyl]amino}-2-oxoéthyl)-2-quinoxalinyl]-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[3-[1-cyano-2-[[2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-2-quinoxalinyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-[3-(1-cyano-2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethyl)-2-quinoxalinyl]-4-piperidinecarboxylate [ACD/IUPAC Name]
ethyl 1-[3-(1-cyano-2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethyl)quinoxalin-2-yl]piperidine-4-carboxylate
Ethyl-1-[3-(1-cyan-2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethyl)-2-chinoxalinyl]-4-piperidincarboxylat [German] [ACD/IUPAC Name]
381692-97-3 [RN]
AC1MO8T3
AGN-PC-05YMTW
AKOS005544049
ethyl 1-[3-[(1S)-1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 731.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 106.8±3.0 kJ/mol
    Flash Point: 396.3±32.9 °C
    Index of Refraction: 1.604
    Molar Refractivity: 138.8±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 2.64
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5):
    ACD/KOC (pH 5.5):
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4):
    ACD/KOC (pH 7.4):
    Polar Surface Area: 117 Å2
    Polarizability: 55.0±0.5 10-24cm3
    Surface Tension: 57.7±3.0 dyne/cm
    Molar Volume: 403.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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