
 SCHEMBL4540837

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M  END

>  <Chemical Name>
SCHEMBL4540837

>  <PubChem CID>
69084725

>  <Formula>
C25H25FN2O3

>  <Molecular Weight>
420.484000

>  <IUPAC Name>
6-(2,6-dimethoxyphenyl)-1-[(2-fluoro-3-pyridin-2-ylphenyl)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(=C3F)C4=CC=CC=N4

>  <Isomeric SMILES>
COC1=C(C(=CC=C1)OC)C2CCCC(=O)N2CC3=CC=CC(=C3F)C4=CC=CC=N4

>  <InChI Std. ID>
InChI=1S/C25H25FN2O3/c1-30-21-12-7-13-22(31-2)24(21)20-11-6-14-23(29)28(20)16-17-8-5-9-18(25(17)26)19-10-3-4-15-27-19/h3-5,7-10,12-13,15,20H,6,11,14,16H2,1-2H3

>  <InChI Key>
AGDHLORZIGVLKC-UHFFFAOYSA-N

