
 SCHEMBL2590505

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M  END

>  <Chemical Name>
SCHEMBL2590505

>  <PubChem CID>
67466238

>  <Formula>
C25H28N4O3

>  <Molecular Weight>
432.524000

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

>  <XlogP>
3.9

>  <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)OCCN5CCCC5

>  <Isomeric SMILES>
CCC1CC(=O)NN=C1C2=CC3=C(C=C2)N=C(O3)C4=CC=C(C=C4)OCCN5CCCC5

>  <InChI Std. ID>
InChI=1S/C25H28N4O3/c1-2-17-16-23(30)27-28-24(17)19-7-10-21-22(15-19)32-25(26-21)18-5-8-20(9-6-18)31-14-13-29-11-3-4-12-29/h5-10,15,17H,2-4,11-14,16H2,1H3,(H,27,30)

>  <InChI Key>
AKNRYYNNBAWWSI-UHFFFAOYSA-N

