
 CHEMBL435218

 55 58  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL435218

>  <PubChem CID>
10873978

>  <Formula>
C23H25Cl2N3O2

>  <Molecular Weight>
446.372000

>  <IUPAC Name>
N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CCCCNC(=O)C2=CC3=CC=CC=C3O2)C4=C(C=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
C1CN(CCN1CCCCNC(=O)C2=CC3=CC=CC=C3O2)C4=C(C=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C23H25Cl2N3O2/c24-18-7-8-20(19(25)16-18)28-13-11-27(12-14-28)10-4-3-9-26-23(29)22-15-17-5-1-2-6-21(17)30-22/h1-2,5-8,15-16H,3-4,9-14H2,(H,26,29)

>  <InChI Key>
GWZLKJUHKRQBRB-UHFFFAOYSA-N

