
 CHEMBL3927243

 59 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3927243

>  <PubChem CID>
134140720

>  <Formula>
C24H27Cl2N3O2S

>  <Molecular Weight>
492.459000

>  <IUPAC Name>
2-[2-(2,6-dichloroanilino)phenyl]-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]acetamide

>  <XlogP>
5.300

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(C)CC1=CC=C(O1)CSCCNC(=O)CC2=CC=CC=C2NC3=C(C=CC=C3Cl)Cl

>  <Isomeric SMILES>
CN(C)CC1=CC=C(O1)CSCCNC(=O)CC2=CC=CC=C2NC3=C(C=CC=C3Cl)Cl

>  <InChI Std. ID>
InChI=1S/C24H27Cl2N3O2S/c1-29(2)15-18-10-11-19(31-18)16-32-13-12-27-23(30)14-17-6-3-4-9-22(17)28-24-20(25)7-5-8-21(24)26/h3-11,28H,12-16H2,1-2H3,(H,27,30)

>  <InChI Key>
JEGJNMBJZAPUIM-UHFFFAOYSA-N

