BENZAMIDE, N-[5-[[4-[BIS[2-(BENZOYLOXY)ETHYL]AMINO]PHENYL]AZO]-2-[[2-METHYL-4-[(2-METHYLPHENYL)AZO]PHENYL]AZO]PHENYL]-

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID2070184

Structure

InChI Key AOYWYUOXPXVZRD-UHFFFAOYSA-N
Smiles Cc1ccccc1N=Nc1ccc(N=Nc2ccc(cc2NC(=O)c2ccccc2)N=Nc2ccc(cc2)N(CCOC(=O)c2ccccc2)CCOC(=O)c2ccccc2)c(C)c1
InChI
InChI=1S/C51H44N8O5/c1-36-14-12-13-21-45(36)56-55-42-24-28-46(37(2)34-42)57-58-47-29-25-43(35-48(47)52-49(60)38-15-6-3-7-16-38)54-53-41-22-26-44(27-23-41)59(30-32-63-50(61)39-17-8-4-9-18-39)31-33-64-51(62)40-19-10-5-11-20-40/h3-29,34-35H,30-33H2,1-2H3,(H,52,60)/b54-53+,56-55+,58-57?

Physicochemical Descriptors

Property Name Value
Molecular Formula C51H44N8O5
Molecular Weight 848.34
AlogP 13.71
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 17.0
Polar Surface Area 162.59
Heavy Atoms 64.0

Cross References

Resources Reference
CAS NUMBER 65072-54-0
NORMAN SUSDAT
PubChem 174077
ChemSpider 151884.0
CONTENTS