
 NSC697165

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M  END

>  <Chemical Name>
NSC697165

>  <PubChem CID>
394047

>  <Formula>
C38H42N8O2

>  <Molecular Weight>
642.808000

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

>  <XlogP>
9.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

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

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

>  <InChI Std. ID>
InChI=1S/C38H42N8O2/c1(3-17-27-35-39-41-37(29-47-33-23-13-7-14-24-33)45(35)43-31-19-9-5-10-20-31)2-4-18-28-36-40-42-38(30-48-34-25-15-8-16-26-34)46(36)44-32-21-11-6-12-22-32/h5-16,19-26,43-44H,1-4,17-18,27-30H2

>  <InChI Key>
WUGBJQZFEUEUFD-UHFFFAOYSA-N

