4-[[1-[[(4-CHLORO-O-TOLYL)AMINO]CARBONYL]-2-OXOPROPYL]AZO]-N-[4-[[1-[[(4-CHLORO-O-TOLYL)AMINO]CARBONYL]-2-OXOPROPYL]AZO]PHENYL]BENZAMIDE

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

Structure

InChI Key MLAZNTLPLAACNH-UHFFFAOYSA-N
Smiles O=C(NC1=CC=C(N=NC(C(=O)NC2=CC=C(Cl)C=C2C)C(=O)C)C=C1)C3=CC=C(N=NC(C(=O)NC4=CC=C(Cl)C=C4C)C(=O)C)C=C3
InChI
InChI=1/C35H31Cl2N7O5/c1-19-17-24(36)7-15-29(19)39-34(48)31(21(3)45)43-41-27-9-5-23(6-10-27)33(47)38-26-11-13-28(14-12-26)42-44-32(22(4)46)35(49)40-30-16-8-25(37)18-20(30)2/h5-18,31-32H,1-4H3,(H,38,47)(H,39,48)(H,40,49)

Physicochemical Descriptors

Property Name Value
Molecular Formula C35H31Cl2N7O5
Molecular Weight 699.18
AlogP 8.61
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 12.0
Polar Surface Area 174.37
Heavy Atoms 49.0

Cross References

Resources Reference
CAS NUMBER 85959-38-2
NORMAN SUSDAT
PubChem 3021081
CONTENTS