ChemSpider 2D Image | (4S)-4-[(3-{2-[(~2~H_3_)Methylamino]ethyl}-1H-indol-5-yl)methyl]-1,3-oxazolidin-2-one | C15H16D3N3O2

(4S)-4-[(3-{2-[(2H3)Methylamino]ethyl}-1H-indol-5-yl)methyl]-1,3-oxazolidin-2-one

  • Molecular FormulaC15H16D3N3O2
  • Average mass276.349 Da
  • Monoisotopic mass276.166565 Da
  • ChemSpider ID48058522

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4S)-4-[(3-{2-[(2H3)Methylamino]ethyl}-1H-indol-5-yl)methyl]-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(4S)-4-[(3-{2-[(2H3)Methylamino]ethyl}-1H-indol-5-yl)methyl]-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4S)-4-[(3-{2-[(2H3)Méthylamino]éthyl}-1H-indol-5-yl)méthyl]-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
2-Oxazolidinone, 4-[[3-[2-(methyl-d3-amino)ethyl]-1H-indol-5-yl]methyl]-, (4S)- [ACD/Index Name]
(4S)-4-[[3-[2-(trideuteriomethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
1217623-11-4 [RN]
139264-35-0 [RN]
N-DESMETHYL ZOLMITRIPTAN-D3
N-DESMETHYL-D3 ZOLMITRIPTAN

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 577.7±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 86.5±3.0 kJ/mol
    Flash Point: 303.2±25.9 °C
    Index of Refraction: 1.624
    Molar Refractivity: 78.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.10
    ACD/LogD (pH 5.5): -1.27
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 66 Å2
    Polarizability: 31.0±0.5 10-24cm3
    Surface Tension: 53.8±3.0 dyne/cm
    Molar Volume: 221.2±3.0 cm3

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