
 SCHEMBL16464245

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M  END

>  <Chemical Name>
SCHEMBL16464245

>  <PubChem CID>
73776423

>  <Formula>
C24H23FN6O3

>  <Molecular Weight>
462.485000

>  <IUPAC Name>
[(2S)-2-[3-(2-ethoxy-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCOC1=C(C=CC=C1F)C2=NOC(=N2)C3CCCN3C(=O)C4=C(C=CC(=C4)C)N5N=CC=N5

>  <Isomeric SMILES>
CCOC1=C(C=CC=C1F)C2=NOC(=N2)[C@@H]3CCCN3C(=O)C4=C(C=CC(=C4)C)N5N=CC=N5

>  <InChI Std. ID>
InChI=1S/C24H23FN6O3/c1-3-33-21-16(6-4-7-18(21)25)22-28-23(34-29-22)20-8-5-13-30(20)24(32)17-14-15(2)9-10-19(17)31-26-11-12-27-31/h4,6-7,9-12,14,20H,3,5,8,13H2,1-2H3/t20-/m0/s1

>  <InChI Key>
ALBXNFSZYZOJKH-FQEVSTJZSA-N

