
 CHEMBL313990

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M  END

>  <Chemical Name>
CHEMBL313990

>  <PubChem CID>
9913449

>  <Formula>
C23H24ClN3O5S

>  <Molecular Weight>
489.971000

>  <IUPAC Name>
3-[1-[4-(5-chloro-1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]piperidin-4-yl]-1,3-benzoxazol-2-one

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCC1N2C3=CC=CC=C3OC2=O)CCCCN4C(=O)C5=C(S4(=O)=O)C=CC(=C5)Cl

>  <Isomeric SMILES>
C1CN(CCC1N2C3=CC=CC=C3OC2=O)CCCCN4C(=O)C5=C(S4(=O)=O)C=CC(=C5)Cl

>  <InChI Std. ID>
InChI=1S/C23H24ClN3O5S/c24-16-7-8-21-18(15-16)22(28)26(33(21,30)31)12-4-3-11-25-13-9-17(10-14-25)27-19-5-1-2-6-20(19)32-23(27)29/h1-2,5-8,15,17H,3-4,9-14H2

>  <InChI Key>
CAQYVHKVLYTXRT-UHFFFAOYSA-N

