
 MLS000335684

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M  END

>  <Chemical Name>
MLS000335684

>  <PubChem CID>
2111906

>  <Formula>
C22H21FN2O2S

>  <Molecular Weight>
396.480000

>  <IUPAC Name>
N-[4-[2-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylphenyl]acetamide

>  <XlogP>
4.300

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CSC3=CC=C(C=C3)NC(=O)C

>  <Isomeric SMILES>
CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CSC3=CC=C(C=C3)NC(=O)C

>  <InChI Std. ID>
InChI=1S/C22H21FN2O2S/c1-14-12-19(15(2)25(14)21-7-5-4-6-20(21)23)22(27)13-28-18-10-8-17(9-11-18)24-16(3)26/h4-12H,13H2,1-3H3,(H,24,26)

>  <InChI Key>
MGZWLXSSVYYBCV-UHFFFAOYSA-N

