N,N'-1,4-PHENYLENEBIS(2-((2-METHOXY-4-NITROPHENYL)AZO)-3-OXOBUTYRAMIDE)

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

Structure

InChI Key TYVKUQLFZIXHMP-UHFFFAOYSA-N
Smiles COc1cc(ccc1N=NC(C(C)=O)C(=O)Nc1ccc(NC(=O)C(N=Nc2ccc(cc2OC)[N+]([O-])=O)C(C)=O)cc1)[N+]([O-])=O
InChI
InChI=1S/C28H26N8O10/c1-15(37)25(33-31-21-11-9-19(35(41)42)13-23(21)45-3)27(39)29-17-5-7-18(8-6-17)30-28(40)26(16(2)38)34-32-22-12-10-20(36(43)44)14-24(22)46-4/h5-14,25-26H,1-4H3,(H,29,39)(H,30,40)

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H26N8O10
Molecular Weight 634.18
AlogP 4.88
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 14.0
Polar Surface Area 246.52
Heavy Atoms 46.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 57494980
ChemSpider 57495417.0
CONTENTS