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

/static/temp/default.svg Search structure
Keyword(s): Persistent mobile and Toxic Substances
Molecule Category Free-form
EPA CompTox DTXSID10100500

Structure

InChI Key HKBCNTJSSROSSO-UHFFFAOYSA-N
Smiles Cc1ccc(NC(=O)C(C(=O)C)N=Nc2ccc(c3ccc(N=NC(C(=O)C)C(=O)Nc4ccccc4OC)c(Cl)c3)cc2Cl)c(C)c1
InChI
InChI=1S/C35H32Cl2N6O5/c1-19-10-13-27(20(2)16-19)38-34(46)32(21(3)44)42-40-28-14-11-23(17-25(28)36)24-12-15-29(26(37)18-24)41-43-33(22(4)45)35(47)39-30-8-6-7-9-31(30)48-5/h6-18,32-33H,1-5H3,(H,38,46)(H,39,47)

Physicochemical Descriptors

Property Name Value
Molecular Formula C35H32Cl2N6O5
Molecular Weight 686.18
AlogP 9.94
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 12.0
Polar Surface Area 157.99
Heavy Atoms 48.0

Cross References

Resources Reference
CAS NUMBER 68610-86-6
NORMAN SUSDAT
PubChem 71306913
CONTENTS