ChemSpider 2D Image | N-[(2S)-1-[(2,3-Dihydroxypropyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl]-5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide | C21H27N3O7S

N-[(2S)-1-[(2,3-Dihydroxypropyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl]-5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide

  • Molecular FormulaC21H27N3O7S
  • Average mass465.520 Da
  • Monoisotopic mass465.156982 Da
  • ChemSpider ID22882769

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1,3-Dioxolo[4,5-g]quinoline-7-carboxamide, N-[(1S)-1-[[(2,3-dihydroxypropyl)amino]carbonyl]-3-(methylthio)propyl]-5-ethyl-5,8-dihydro-8-oxo- [ACD/Index Name]
N-[(2S)-1-[(2,3-Dihydroxypropyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl]-5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]chinolin-7-carboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-[(2,3-Dihydroxypropyl)amino]-4-(méthylsulfanyl)-1-oxo-2-butanyl]-5-éthyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoléine-7-carboxamide [French] [ACD/IUPAC Name]
N-[(2S)-1-[(2,3-Dihydroxypropyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl]-5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide [ACD/IUPAC Name]
1014084-01-5 [RN]
AKOS022089581
MCULE-9654797732
MolPort-002-675-710
N-[(2S)-1-(2,3-dihydroxypropylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
N-[(2S)-1-[(2,3-dihydroxypropyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 855.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 130.2±3.0 kJ/mol
    Flash Point: 471.0±34.3 °C
    Index of Refraction: 1.616
    Molar Refractivity: 117.1±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: -0.39
    ACD/LogD (pH 5.5): -0.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 19.33
    ACD/LogD (pH 7.4): -0.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 19.29
    Polar Surface Area: 163 Å2
    Polarizability: 46.4±0.5 10-24cm3
    Surface Tension: 63.4±3.0 dyne/cm
    Molar Volume: 335.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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