ChemSpider 2D Image | cenerimod | C25H31N3O5

cenerimod

  • Molecular FormulaC25H31N3O5
  • Average mass453.531 Da
  • Monoisotopic mass453.226379 Da
  • ChemSpider ID52084350

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-{4-[5-(2-Cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy}-1,2-propandiol [German] [ACD/IUPAC Name]
(2S)-3-{4-[5-(2-Cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy}-1,2-propanediol [ACD/IUPAC Name]
(2S)-3-{4-[5-(2-Cyclopentyl-6-méthoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-éthyl-6-méthylphénoxy}-1,2-propanediol [French] [ACD/IUPAC Name]
(2S)-3-{4-[5-(2-cyclopentyl-6-methoxypyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy}propane-1,2-diol
1,2-Propanediol, 3-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-, (2S)- [ACD/Index Name]
1262414-04-9 [RN]
cenerimod [INN]
Y333RS1786
(2S)-3-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-1,2-propanediol
(S)-3-(4-(5-(2-CYCLOPENTYL-6-METHOXYPYRIDIN-4-YL)-1,2,4-OXADIAZOL-3-YL)-2-ETHYL-6-METHYLPHENOXY)PROPANE-1,2-DIOL
More...

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

10183 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 670.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.5±3.0 kJ/mol
    Flash Point: 359.4±34.3 °C
    Index of Refraction: 1.578
    Molar Refractivity: 123.3±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 5.92
    ACD/LogD (pH 5.5): 3.81
    ACD/BCF (pH 5.5): 458.67
    ACD/KOC (pH 5.5): 2797.09
    ACD/LogD (pH 7.4): 3.81
    ACD/BCF (pH 7.4): 458.67
    ACD/KOC (pH 7.4): 2797.10
    Polar Surface Area: 111 Å2
    Polarizability: 48.9±0.5 10-24cm3
    Surface Tension: 51.4±3.0 dyne/cm
    Molar Volume: 371.4±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement