
 SCHEMBL931141

 64 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL931141

>  <PubChem CID>
59636707

>  <Formula>
C28H28N4O4

>  <Molecular Weight>
484.556000

>  <IUPAC Name>
N-(1,3-benzodioxol-5-ylmethyl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CN(CCN1CCC2=CC=CC=N2)C3=CC=CC4=C3OC(=C4)C(=O)NCC5=CC6=C(C=C5)OCO6

>  <Isomeric SMILES>
C1CN(CCN1CCC2=CC=CC=N2)C3=CC=CC4=C3OC(=C4)C(=O)NCC5=CC6=C(C=C5)OCO6

>  <InChI Std. ID>
InChI=1S/C28H28N4O4/c33-28(30-18-20-7-8-24-25(16-20)35-19-34-24)26-17-21-4-3-6-23(27(21)36-26)32-14-12-31(13-15-32)11-9-22-5-1-2-10-29-22/h1-8,10,16-17H,9,11-15,18-19H2,(H,30,33)

>  <InChI Key>
WKFLHPZCSXAWKK-UHFFFAOYSA-N

