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Search term: YBIFMTGYWXNIRZ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-{2-Fluoro-4-[5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl]benzyl}-3-azetidinecarboxylic acid | C23H24FN3O3

1-{2-Fluoro-4-[5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl]benzyl}-3-azetidinecarboxylic acid

  • Molecular FormulaC23H24FN3O3
  • Average mass409.453 Da
  • Monoisotopic mass409.180176 Da
  • ChemSpider ID64907759

More details:

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

1-[(2-fluoro-4-{5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methyl]azetidine-3-carboxylic acid
1-{2-Fluor-4-[5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl]benzyl}-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
1-{2-Fluoro-4-[5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl]benzyl}-3-azetidinecarboxylic acid [ACD/IUPAC Name]
1514888-56-2 [RN]
3-Azetidinecarboxylic acid, 1-[[2-fluoro-4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]- [ACD/Index Name]
Acide 1-{2-fluoro-4-[5-(4-isobutylphényl)-1,2,4-oxadiazol-3-yl]benzyl}-3-azétidinecarboxylique [French] [ACD/IUPAC Name]
icanbelimod
MFCD30738002
S1P receptor agonist 1
S1p-receptor-agonist-1
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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: 566.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 89.5±3.0 kJ/mol
    Flash Point: 296.3±32.9 °C
    Index of Refraction: 1.591
    Molar Refractivity: 109.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 5.13
    ACD/LogD (pH 5.5): 2.03
    ACD/BCF (pH 5.5): 5.16
    ACD/KOC (pH 5.5): 22.14
    ACD/LogD (pH 7.4): 1.96
    ACD/BCF (pH 7.4): 4.47
    ACD/KOC (pH 7.4): 19.19
    Polar Surface Area: 79 Å2
    Polarizability: 43.3±0.5 10-24cm3
    Surface Tension: 54.0±3.0 dyne/cm
    Molar Volume: 322.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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