BUTANAMIDE, 2,2'-[(3,3'-DICHLORO[1,1'-BIPHENYL]-4,4'-DIYL)BIS(AZO)]BIS[3-OXO-, N,N'-BIS(P-ANISYL AND PH) DERIVS.

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Keyword(s): Persistent mobile and Toxic Substances
Molecule Category Free-form
EPA CompTox DTXSID90105356

Structure

InChI Key DHHOHVWWZLHYBC-UHFFFAOYSA-N
Smiles CC(=O)C(C(=O)Nc1ccccc1)N=Nc1ccc(c2ccc(N=NC(C(=O)C)C(=O)Nc3ccc(OC)cc3)c(Cl)c2)cc1Cl
InChI
InChI=1S/C33H28Cl2N6O5/c1-19(42)30(32(44)36-23-7-5-4-6-8-23)40-38-28-15-9-21(17-26(28)34)22-10-16-29(27(35)18-22)39-41-31(20(2)43)33(45)37-24-11-13-25(46-3)14-12-24/h4-18,30-31H,1-3H3,(H,36,44)(H,37,45)

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H28Cl2N6O5
Molecular Weight 658.15
AlogP 8.68
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 12.0
Polar Surface Area 154.5
Heavy Atoms 46.0

Cross References

Resources Reference
CAS NUMBER 90268-23-8
NORMAN SUSDAT
PubChem 91316050
CONTENTS