ChemSpider 2D Image | 5-Ethyl-N-{(2S)-1-[(1-hydroxy-2-methyl-2-propanyl)amino]-1-oxo-3-phenyl-2-propanyl}-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide | C26H29N3O6

5-Ethyl-N-{(2S)-1-[(1-hydroxy-2-methyl-2-propanyl)amino]-1-oxo-3-phenyl-2-propanyl}-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide

  • Molecular FormulaC26H29N3O6
  • Average mass479.525 Da
  • Monoisotopic mass479.205627 Da
  • ChemSpider ID22882847

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3-Dioxolo[4,5-g]quinoline-7-carboxamide, 5-ethyl-5,8-dihydro-N-[(1S)-2-[(2-hydroxy-1,1-dimethylethyl)amino]-2-oxo-1-(phenylmethyl)ethyl]-8-oxo- [ACD/Index Name]
5-Ethyl-N-{(2S)-1-[(1-hydroxy-2-methyl-2-propanyl)amino]-1-oxo-3-phenyl-2-propanyl}-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]chinolin-7-carboxamid [German] [ACD/IUPAC Name]
5-Éthyl-N-{(2S)-1-[(1-hydroxy-2-méthyl-2-propanyl)amino]-1-oxo-3-phényl-2-propanyl}-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoléine-7-carboxamide [French] [ACD/IUPAC Name]
5-Ethyl-N-{(2S)-1-[(1-hydroxy-2-methyl-2-propanyl)amino]-1-oxo-3-phenyl-2-propanyl}-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide [ACD/IUPAC Name]
1014064-07-3 [RN]
5-ethyl-N-[(2S)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
5-ethyl-N-{(2S)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl}-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
AKOS022089582
AO-022/43454551
MCULE-5606746401
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 793.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 121.1±3.0 kJ/mol
    Flash Point: 433.9±32.9 °C
    Index of Refraction: 1.610
    Molar Refractivity: 127.4±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 1.71
    ACD/LogD (pH 5.5): 1.86
    ACD/BCF (pH 5.5): 15.38
    ACD/KOC (pH 5.5): 246.19
    ACD/LogD (pH 7.4): 1.86
    ACD/BCF (pH 7.4): 15.35
    ACD/KOC (pH 7.4): 245.76
    Polar Surface Area: 117 Å2
    Polarizability: 50.5±0.5 10-24cm3
    Surface Tension: 56.6±3.0 dyne/cm
    Molar Volume: 367.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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