
 MLS000735366

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M  END

>  <Chemical Name>
MLS000735366

>  <PubChem CID>
16187535

>  <Formula>
C21H28N2O3S

>  <Molecular Weight>
388.526000

>  <IUPAC Name>
ethyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCOC(=O)C1(CCN(CC1)CC2=CN=C(S2)C)CCOC3=CC=CC=C3

>  <Isomeric SMILES>
CCOC(=O)C1(CCN(CC1)CC2=CN=C(S2)C)CCOC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C21H28N2O3S/c1-3-25-20(24)21(11-14-26-18-7-5-4-6-8-18)9-12-23(13-10-21)16-19-15-22-17(2)27-19/h4-8,15H,3,9-14,16H2,1-2H3

>  <InChI Key>
AQDWISRSCBMKHV-UHFFFAOYSA-N

