
 NSC697163

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M  END

>  <Chemical Name>
NSC697163

>  <PubChem CID>
394045

>  <Formula>
C34H38N8O4

>  <Molecular Weight>
622.730000

>  <IUPAC Name>
1-[[4-amino-5-[8-[4-amino-5-[(2-hydroxynaphthalen-1-yl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-2-ol

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
C1=CC=C2C(=C1)C=CC(=C2OCC3=NN=C(N3N)CCCCCCCCC4=NN=C(N4N)COC5=C(C=CC6=CC=CC=C65)O)O

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C=CC(=C2OCC3=NN=C(N3N)CCCCCCCCC4=NN=C(N4N)COC5=C(C=CC6=CC=CC=C65)O)O

>  <InChI Std. ID>
InChI=1S/C34H38N8O4/c35-41-29(37-39-31(41)21-45-33-25-13-9-7-11-23(25)17-19-27(33)43)15-5-3-1-2-4-6-16-30-38-40-32(42(30)36)22-46-34-26-14-10-8-12-24(26)18-20-28(34)44/h7-14,17-20,43-44H,1-6,15-16,21-22,35-36H2

>  <InChI Key>
NUXQTLBRCMZPEU-UHFFFAOYSA-N

