
 NSC697161

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M  END

>  <Chemical Name>
NSC697161

>  <PubChem CID>
394043

>  <Formula>
C26H32Cl2N8O2

>  <Molecular Weight>
559.496000

>  <IUPAC Name>
3-[8-[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-4-amine

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1=CC(=CC=C1OCC2=NN=C(N2N)CCCCCCCCC3=NN=C(N3N)COC4=CC=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
C1=CC(=CC=C1OCC2=NN=C(N2N)CCCCCCCCC3=NN=C(N3N)COC4=CC=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C26H32Cl2N8O2/c27-19-9-13-21(14-10-19)37-17-25-33-31-23(35(25)29)7-5-3-1-2-4-6-8-24-32-34-26(36(24)30)18-38-22-15-11-20(28)12-16-22/h9-16H,1-8,17-18,29-30H2

>  <InChI Key>
NASDCQVYKOBYIL-UHFFFAOYSA-N

