
 CHEMBL337789

 66 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL337789

>  <PubChem CID>
44358569

>  <Formula>
C25H29F6N3O3

>  <Molecular Weight>
533.515000

>  <IUPAC Name>
2-[2-[4-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazin-1-yl]ethoxy]acetamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
C1CN(CCN1CCOCC(=O)N)C(COCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

>  <Isomeric SMILES>
C1CN(CCN1CCOCC(=O)N)C(COCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C25H29F6N3O3/c26-24(27,28)20-12-18(13-21(14-20)25(29,30)31)15-37-16-22(19-4-2-1-3-5-19)34-8-6-33(7-9-34)10-11-36-17-23(32)35/h1-5,12-14,22H,6-11,15-17H2,(H2,32,35)

>  <InChI Key>
AEGNWBZPYYNCRL-UHFFFAOYSA-N

