
 SCHEMBL2588390

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M  END

>  <Chemical Name>
SCHEMBL2588390

>  <PubChem CID>
67465162

>  <Formula>
C24H25N3O4

>  <Molecular Weight>
419.481000

>  <IUPAC Name>
4-ethyl-3-[2-[4-(oxan-4-yloxy)phenyl]-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC1CC(=O)NN=C1C2=CC3=C(C=C2)N=C(O3)C4=CC=C(C=C4)OC5CCOCC5

>  <Isomeric SMILES>
CCC1CC(=O)NN=C1C2=CC3=C(C=C2)N=C(O3)C4=CC=C(C=C4)OC5CCOCC5

>  <InChI Std. ID>
InChI=1S/C24H25N3O4/c1-2-15-14-22(28)26-27-23(15)17-5-8-20-21(13-17)31-24(25-20)16-3-6-18(7-4-16)30-19-9-11-29-12-10-19/h3-8,13,15,19H,2,9-12,14H2,1H3,(H,26,28)

>  <InChI Key>
AVNUMLOZGYUZOY-UHFFFAOYSA-N

