
 MLS000998903

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M  END

>  <Chemical Name>
MLS000998903

>  <PubChem CID>
23723905

>  <Formula>
C21H30FN3OS

>  <Molecular Weight>
391.549000

>  <IUPAC Name>
2-[1-(2,2-dimethylpropyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-2-yl]ethanol

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)(C)CN1CCN(CC1CCO)CC2=NC(=CS2)C3=CC=C(C=C3)F

>  <Isomeric SMILES>
CC(C)(C)CN1CCN(CC1CCO)CC2=NC(=CS2)C3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C21H30FN3OS/c1-21(2,3)15-25-10-9-24(12-18(25)8-11-26)13-20-23-19(14-27-20)16-4-6-17(22)7-5-16/h4-7,14,18,26H,8-13,15H2,1-3H3

>  <InChI Key>
GOUYUKOYEGKQEP-UHFFFAOYSA-N

