
 NSC697166

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M  END

>  <Chemical Name>
NSC697166

>  <PubChem CID>
394048

>  <Formula>
C38H40Cl2N8O2

>  <Molecular Weight>
711.692000

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

>  <XlogP>
10.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

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

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

>  <InChI Std. ID>
InChI=1S/C38H40Cl2N8O2/c39-29-19-23-33(24-20-29)49-27-37-43-41-35(47(37)45-31-13-7-5-8-14-31)17-11-3-1-2-4-12-18-36-42-44-38(28-50-34-25-21-30(40)22-26-34)48(36)46-32-15-9-6-10-16-32/h5-10,13-16,19-26,45-46H,1-4,11-12,17-18,27-28H2

>  <InChI Key>
RQIVURUKFMFAAP-UHFFFAOYSA-N

