ChemSpider 2D Image | [4-(4-METHYLPIPERIDIN-1-YLSULFONYL)-1-OXOISOQUINOLIN-2-YL]ACETIC ACID | C17H20N2O5S

[4-(4-METHYLPIPERIDIN-1-YLSULFONYL)-1-OXOISOQUINOLIN-2-YL]ACETIC ACID

  • Molecular FormulaC17H20N2O5S
  • Average mass364.416 Da
  • Monoisotopic mass364.109283 Da
  • ChemSpider ID21800501

More details:

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

[4-(4-METHYLPIPERIDIN-1-YLSULFONYL)-1-OXOISOQUINOLIN-2-YL]ACETIC ACID
{4-[(4-Methyl-1-piperidinyl)sulfonyl]-1-oxo-2(1H)-isochinolinyl}essigsäure [German] [ACD/IUPAC Name]
{4-[(4-Methyl-1-piperidinyl)sulfonyl]-1-oxo-2(1H)-isoquinolinyl}acetic acid [ACD/IUPAC Name]
{4-[(4-methylpiperidin-1-yl)sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetic acid
2(1H)-Isoquinolineacetic acid, 4-[(4-methyl-1-piperidinyl)sulfonyl]-1-oxo- [ACD/Index Name]
2-(4-((4-Methylpiperidin-1-yl)sulfonyl)-1-oxoisoquinolin-2(1H)-yl)acetic acid
2-{4-[(4-methylpiperidin-1-yl)sulfonyl]-1-oxo-1,2-dihydroisoquinolin-2-yl}acetic acid
685525-46-6 [RN]
Acide {4-[(4-méthyl-1-pipéridinyl)sulfonyl]-1-oxo-2(1H)-isoquinoléinyl}acétique [French] [ACD/IUPAC Name]
[4-[(4-Methylpiperidin-1-yl)sulfonyl]-1-oxoisoquinolin-2(1H)-yl]acetic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD03828552 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 601.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 94.1±3.0 kJ/mol
    Flash Point: 317.5±34.3 °C
    Index of Refraction: 1.655
    Molar Refractivity: 91.6±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.78
    ACD/LogD (pH 5.5): -0.38
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.03
    ACD/LogD (pH 7.4): -1.96
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 103 Å2
    Polarizability: 36.3±0.5 10-24cm3
    Surface Tension: 71.1±5.0 dyne/cm
    Molar Volume: 249.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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