
 CHEMBL376781

 54 58  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL376781

>  <PubChem CID>
16124707

>  <Formula>
C23H24FN3OS2

>  <Molecular Weight>
441.583000

>  <IUPAC Name>
1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-4,4-dithiophen-2-ylimidazolidin-2-one

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1N2CC(NC2=O)(C3=CC=CS3)C4=CC=CS4)CC5=CC(=CC=C5)F

>  <Isomeric SMILES>
C1CN(CCC1N2CC(NC2=O)(C3=CC=CS3)C4=CC=CS4)CC5=CC(=CC=C5)F

>  <InChI Std. ID>
InChI=1S/C23H24FN3OS2/c24-18-5-1-4-17(14-18)15-26-10-8-19(9-11-26)27-16-23(25-22(27)28,20-6-2-12-29-20)21-7-3-13-30-21/h1-7,12-14,19H,8-11,15-16H2,(H,25,28)

>  <InChI Key>
PZNWDUWKLZHRGR-UHFFFAOYSA-N

