
 CHEMBL2204354

 52 55  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2204354

>  <PubChem CID>
52951939

>  <Formula>
C21H24ClFN2O2S

>  <Molecular Weight>
422.943000

>  <IUPAC Name>
(2R)-2-[(2-chlorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propanamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1COC2(CCN(CC2)CC(CC3=CC=CC=C3Cl)C(=O)N)C4=C1C=C(S4)F

>  <Isomeric SMILES>
C1COC2(CCN(CC2)C[C@@H](CC3=CC=CC=C3Cl)C(=O)N)C4=C1C=C(S4)F

>  <InChI Std. ID>
InChI=1S/C21H24ClFN2O2S/c22-17-4-2-1-3-14(17)11-16(20(24)26)13-25-8-6-21(7-9-25)19-15(5-10-27-21)12-18(23)28-19/h1-4,12,16H,5-11,13H2,(H2,24,26)/t16-/m1/s1

>  <InChI Key>
AOKFEEKZCZTORV-MRXNPFEDSA-N

