
 NSC697169

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M  END

>  <Chemical Name>
NSC697169

>  <PubChem CID>
394051

>  <Formula>
C38H38Cl4N8O2

>  <Molecular Weight>
780.576000

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

>  <XlogP>
11.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1=CC=C(C=C1)NN2C(=NN=C2COC3=C(C=C(C=C3)Cl)Cl)CCCCCCCCC4=NN=C(N4NC5=CC=CC=C5)COC6=C(C=C(C=C6)Cl)Cl

>  <Isomeric SMILES>
C1=CC=C(C=C1)NN2C(=NN=C2COC3=C(C=C(C=C3)Cl)Cl)CCCCCCCCC4=NN=C(N4NC5=CC=CC=C5)COC6=C(C=C(C=C6)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C38H38Cl4N8O2/c39-27-19-21-33(31(41)23-27)51-25-37-45-43-35(49(37)47-29-13-7-5-8-14-29)17-11-3-1-2-4-12-18-36-44-46-38(50(36)48-30-15-9-6-10-16-30)26-52-34-22-20-28(40)24-32(34)42/h5-10,13-16,19-24,47-48H,1-4,11-12,17-18,25-26H2

>  <InChI Key>
VCMQJXCLTUZMHR-UHFFFAOYSA-N

