4-[[1-[[(2-METHOXYPHENYL)AMINO]CARBONYL]-2-OXOPROPYL]AZO]-N-[4-[[1-[[(2-METHOXYPHENYL)AMINO]CARBONYL]-2-OXOPROPYL]AZO]PHENYL]BENZAMIDE

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

Structure

InChI Key NWOKKZCOSYPGDQ-UHFFFAOYSA-N
Smiles O=C(NC1=CC=C(N=NC(C(=O)NC=2C=CC=CC2OC)C(=O)C)C=C1)C3=CC=C(N=NC(C(=O)NC=4C=CC=CC4OC)C(=O)C)C=C3
InChI
InChI=1/C35H33N7O7/c1-21(43)31(34(46)37-27-9-5-7-11-29(27)48-3)41-39-25-15-13-23(14-16-25)33(45)36-24-17-19-26(20-18-24)40-42-32(22(2)44)35(47)38-28-10-6-8-12-30(28)49-4/h5-20,31-32H,1-4H3,(H,36,45)(H,37,46)(H,38,47)

Physicochemical Descriptors

Property Name Value
Molecular Formula C35H33N7O7
Molecular Weight 663.24
AlogP 8.0
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 14.0
Polar Surface Area 199.81
Heavy Atoms 49.0

Cross References

Resources Reference
CAS NUMBER 68155-71-5
NORMAN SUSDAT
PubChem 109669
CONTENTS