
 MLS001030649

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M  END

>  <Chemical Name>
MLS001030649

>  <PubChem CID>
20968904

>  <Formula>
C25H28ClN3O2S

>  <Molecular Weight>
470.028000

>  <IUPAC Name>
N-(1-benzylpiperidin-4-yl)-2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CSCC(=O)NC3CCN(CC3)CC4=CC=CC=C4

>  <Isomeric SMILES>
CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CSCC(=O)NC3CCN(CC3)CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C25H28ClN3O2S/c1-18-23(28-25(31-18)20-7-9-21(26)10-8-20)16-32-17-24(30)27-22-11-13-29(14-12-22)15-19-5-3-2-4-6-19/h2-10,22H,11-17H2,1H3,(H,27,30)

>  <InChI Key>
DMUBBYXIJZVCFD-UHFFFAOYSA-N

