
 BDBM50359427

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M  END

>  <Chemical Name>
BDBM50359427

>  <PubChem CID>
90762067

>  <Formula>
C21H30N2O3S

>  <Molecular Weight>
390.542000

>  <IUPAC Name>
3-[8-(3,4-dihydro-2H-chromen-2-ylmethylamino)octyl]-4-hydroxy-1,3-thiazol-2-one

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC2=CC=CC=C2OC1CNCCCCCCCCN3C(=CSC3=O)O

>  <Isomeric SMILES>
C1CC2=CC=CC=C2OC1CNCCCCCCCCN3C(=CSC3=O)O

>  <InChI Std. ID>
InChI=1S/C21H30N2O3S/c24-20-16-27-21(25)23(20)14-8-4-2-1-3-7-13-22-15-18-12-11-17-9-5-6-10-19(17)26-18/h5-6,9-10,16,18,22,24H,1-4,7-8,11-15H2

>  <InChI Key>
BRKZWBXBNWKPOJ-UHFFFAOYSA-N

