
 MLS001239230

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M  END

>  <Chemical Name>
MLS001239230

>  <PubChem CID>
24892694

>  <Formula>
C25H31ClF2N4O3S2

>  <Molecular Weight>
573.115000

>  <IUPAC Name>
4-(azepan-1-ylsulfonyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CN(C)CCCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4.Cl

>  <Isomeric SMILES>
CN(C)CCCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4.Cl

>  <InChI Std. ID>
InChI=1S/C25H30F2N4O3S2.ClH/c1-29(2)12-7-15-31(25-28-23-21(27)16-19(26)17-22(23)35-25)24(32)18-8-10-20(11-9-18)36(33,34)30-13-5-3-4-6-14-30;/h8-11,16-17H,3-7,12-15H2,1-2H3;1H

>  <InChI Key>
BPFGNAQSCUUSSI-UHFFFAOYSA-N

