
 CHEMBL89448

 46 48  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL89448

>  <PubChem CID>
44322821

>  <Formula>
C16H24N4O2

>  <Molecular Weight>
304.394000

>  <IUPAC Name>
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CNC(=NC1)NCCCNCC2COC3=CC=CC=C3O2

>  <Isomeric SMILES>
C1CNC(=NC1)NCCCNCC2COC3=CC=CC=C3O2

>  <InChI Std. ID>
InChI=1S/C16H24N4O2/c1-2-6-15-14(5-1)21-12-13(22-15)11-17-7-3-8-18-16-19-9-4-10-20-16/h1-2,5-6,13,17H,3-4,7-12H2,(H2,18,19,20)

>  <InChI Key>
ACOPJGUABVTKCV-UHFFFAOYSA-N

