
 MLS000731911

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M  END

>  <Chemical Name>
MLS000731911

>  <PubChem CID>
16190127

>  <Formula>
C23H28FN3OS

>  <Molecular Weight>
413.555000

>  <IUPAC Name>
1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=C(S1)C)C2=NN(C=C2CN3CCC(CC3)COC)C4=CC=CC=C4F

>  <Isomeric SMILES>
CC1=CC(=C(S1)C)C2=NN(C=C2CN3CCC(CC3)COC)C4=CC=CC=C4F

>  <InChI Std. ID>
InChI=1S/C23H28FN3OS/c1-16-12-20(17(2)29-16)23-19(13-26-10-8-18(9-11-26)15-28-3)14-27(25-23)22-7-5-4-6-21(22)24/h4-7,12,14,18H,8-11,13,15H2,1-3H3

>  <InChI Key>
AVXGHKWEEAVFKR-UHFFFAOYSA-N

