
 SCHEMBL931086

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M  END

>  <Chemical Name>
SCHEMBL931086

>  <PubChem CID>
59636718

>  <Formula>
C22H25BrN4O2

>  <Molecular Weight>
457.372000

>  <IUPAC Name>
4-bromo-N,N-dimethyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(C)C(=O)C1=CC2=C(C=CC(=C2O1)N3CCN(CC3)CCC4=CC=CC=N4)Br

>  <Isomeric SMILES>
CN(C)C(=O)C1=CC2=C(C=CC(=C2O1)N3CCN(CC3)CCC4=CC=CC=N4)Br

>  <InChI Std. ID>
InChI=1S/C22H25BrN4O2/c1-25(2)22(28)20-15-17-18(23)6-7-19(21(17)29-20)27-13-11-26(12-14-27)10-8-16-5-3-4-9-24-16/h3-7,9,15H,8,10-14H2,1-2H3

>  <InChI Key>
BTFWJDZGWBIYQQ-UHFFFAOYSA-N

