
 CHEMBL3561387

 53 55  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3561387

>  <PubChem CID>
73058518

>  <Formula>
C23H23F2NO3S

>  <Molecular Weight>
431.498000

>  <IUPAC Name>
1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanone

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=C(N1C2=CC=C(C=C2)OC(F)F)C)C(=O)CSCC3=CC=C(C=C3)OC

>  <Isomeric SMILES>
CC1=CC(=C(N1C2=CC=C(C=C2)OC(F)F)C)C(=O)CSCC3=CC=C(C=C3)OC

>  <InChI Std. ID>
InChI=1S/C23H23F2NO3S/c1-15-12-21(22(27)14-30-13-17-4-8-19(28-3)9-5-17)16(2)26(15)18-6-10-20(11-7-18)29-23(24)25/h4-12,23H,13-14H2,1-3H3

>  <InChI Key>
DPIIDSDHXSZGPU-UHFFFAOYSA-N

