
 SCHEMBL16666146

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    8.2461   -4.2825   -0.9693 N   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL16666146

>  <PubChem CID>
118034901

>  <Formula>
C20H20FN3O4S

>  <Molecular Weight>
417.455000

>  <IUPAC Name>
N-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]oxolan-3-yl]-2,6-dimethoxybenzamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=C(C(=CC=C1)OC)C(=O)NC2COCC2NC3=NC4=C(S3)C=C(C=C4)F

>  <Isomeric SMILES>
COC1=C(C(=CC=C1)OC)C(=O)NC2COCC2NC3=NC4=C(S3)C=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C20H20FN3O4S/c1-26-15-4-3-5-16(27-2)18(15)19(25)22-13-9-28-10-14(13)24-20-23-12-7-6-11(21)8-17(12)29-20/h3-8,13-14H,9-10H2,1-2H3,(H,22,25)(H,23,24)

>  <InChI Key>
AGIGBBGIUJGDRX-UHFFFAOYSA-N

