Does Metabolism of (S)-N-[1-(3-Morpholin-4-ylphenyl)ethyl]-3-phenylacrylamide Occur at the Morpholine Ring? Quantum Mechanical and Molecular Dynamics Studies
نویسندگان
چکیده
Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, 6-6-11-1302 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan PRESTO, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012, Japan Institute of Catalysis, Polish Academy of Sciences, ul. Niezapominajek 8, 30-239 Kraków Poland New Industry Creation Hatchery Center, Tohoku University, 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan
منابع مشابه
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In the title compound, C(21)H(20)ClNO(2), the dihedral angle between the naphthyl-ene ring system and the phenyl ring is 77.86 (15)°. The morpholine ring adopts a chair conformation. The hydroxyl group is involved in intra-molecular O-H⋯N hydrogen bonding. A weak inter-molecular C-H⋯π inter-action is present in the crystal structure.
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تاریخ انتشار 2007