
 NSC697164

 70 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
NSC697164

>  <PubChem CID>
394046

>  <Formula>
C26H30Cl4N8O2

>  <Molecular Weight>
628.380000

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

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1=CC(=C(C=C1Cl)Cl)OCC2=NN=C(N2N)CCCCCCCCC3=NN=C(N3N)COC4=C(C=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
C1=CC(=C(C=C1Cl)Cl)OCC2=NN=C(N2N)CCCCCCCCC3=NN=C(N3N)COC4=C(C=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C26H30Cl4N8O2/c27-17-9-11-21(19(29)13-17)39-15-25-35-33-23(37(25)31)7-5-3-1-2-4-6-8-24-34-36-26(38(24)32)16-40-22-12-10-18(28)14-20(22)30/h9-14H,1-8,15-16,31-32H2

>  <InChI Key>
IUCBPPSDEQOVHN-UHFFFAOYSA-N

