
 CHEMBL169132

 80 85  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL169132

>  <PubChem CID>
44382713

>  <Formula>
C33H36F2N2O6S

>  <Molecular Weight>
626.716000

>  <IUPAC Name>
[(5R)-5-(3,4-difluorophenyl)-5-[2-(2-oxospiro[1H-2-benzothiophene-3,4'-piperidine]-1'-yl)ethyl]-1,3-oxazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2CC(OC2)(CCN3CCC4(CC3)C5=CC=CC=C5CS4=O)C6=CC(=C(C=C6)F)F

>  <Isomeric SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2C[C@@](OC2)(CCN3CCC4(CC3)C5=CC=CC=C5CS4=O)C6=CC(=C(C=C6)F)F

>  <InChI Std. ID>
InChI=1S/C33H36F2N2O6S/c1-40-28-16-23(17-29(41-2)30(28)42-3)31(38)37-20-32(43-21-37,24-8-9-26(34)27(35)18-24)10-13-36-14-11-33(12-15-36)25-7-5-4-6-22(25)19-44(33)39/h4-9,16-18H,10-15,19-21H2,1-3H3/t32-,44?/m0/s1

>  <InChI Key>
IFGSPDNNHKRTOO-UJBMNDQASA-N

