
 SCHEMBL2294162

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M  END

>  <Chemical Name>
SCHEMBL2294162

>  <PubChem CID>
16657820

>  <Formula>
C25H33N3O5S

>  <Molecular Weight>
487.615000

>  <IUPAC Name>
N-[3-[4-[5-[3,5-dimethyl-4-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=CC(=CC(=C1OCC(CNC(=O)CO)O)C)C2=NOC(=N2)C3=C(C(=C(S3)C)CC(C)C)C

>  <Isomeric SMILES>
CC1=CC(=CC(=C1OCC(CNC(=O)CO)O)C)C2=NOC(=N2)C3=C(C(=C(S3)C)CC(C)C)C

>  <InChI Std. ID>
InChI=1S/C25H33N3O5S/c1-13(2)7-20-16(5)23(34-17(20)6)25-27-24(28-33-25)18-8-14(3)22(15(4)9-18)32-12-19(30)10-26-21(31)11-29/h8-9,13,19,29-30H,7,10-12H2,1-6H3,(H,26,31)

>  <InChI Key>
AXAPDELCHKZJAZ-UHFFFAOYSA-N

