
 SCHEMBL15169489

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M  END

>  <Chemical Name>
SCHEMBL15169489

>  <PubChem CID>
89736183

>  <Formula>
C20H23ClN4O4S

>  <Molecular Weight>
450.938000

>  <IUPAC Name>
1-[5-chloro-4-(3-methylpyridin-2-yl)pyridin-2-yl]-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methylazetidine-3-carboxamide

>  <XlogP>
0.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(N=CC=C1)C2=CC(=NC=C2Cl)N3CC(C3)C(=O)N(C)C4CS(=O)(=O)CC4O

>  <Isomeric SMILES>
CC1=C(N=CC=C1)C2=CC(=NC=C2Cl)N3CC(C3)C(=O)N(C)[C@@H]4CS(=O)(=O)C[C@H]4O

>  <InChI Std. ID>
InChI=1S/C20H23ClN4O4S/c1-12-4-3-5-22-19(12)14-6-18(23-7-15(14)21)25-8-13(9-25)20(27)24(2)16-10-30(28,29)11-17(16)26/h3-7,13,16-17,26H,8-11H2,1-2H3/t16-,17-/m1/s1

>  <InChI Key>
BDIUPYVIEMNOIL-IAGOWNOFSA-N

