
 SCHEMBL4536732

 53 56  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL4536732

>  <PubChem CID>
69082749

>  <Formula>
C23H24N2O3S

>  <Molecular Weight>
408.516000

>  <IUPAC Name>
6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-5-yl)phenyl]methyl]piperidin-2-one

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=C(C(=CC=C1)OC)C2CCCC(=O)N2CC3=CC=CC(=C3)C4=CN=CS4

>  <Isomeric SMILES>
COC1=C(C(=CC=C1)OC)C2CCCC(=O)N2CC3=CC=CC(=C3)C4=CN=CS4

>  <InChI Std. ID>
InChI=1S/C23H24N2O3S/c1-27-19-9-5-10-20(28-2)23(19)18-8-4-11-22(26)25(18)14-16-6-3-7-17(12-16)21-13-24-15-29-21/h3,5-7,9-10,12-13,15,18H,4,8,11,14H2,1-2H3

>  <InChI Key>
ACRPTJULOPXGFI-UHFFFAOYSA-N

