ACETAMIDE, N-[2-[(2-CHLORO-4,6-DINITROPHENYL)AZO]-5-(ETHYLAMINO)-4-(2-METHOXYETHOXY)PHENYL]-

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID5071911

Structure

InChI Key MGMDGPHTYZIJCK-UHFFFAOYSA-N
Smiles CCNc1cc(NC(=O)C)c(cc1OCCOC)N=Nc1c(Cl)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C19H21ClN6O7/c1-4-21-16-9-14(22-11(2)27)15(10-18(16)33-6-5-32-3)23-24-19-13(20)7-12(25(28)29)8-17(19)26(30)31/h7-10,21H,4-6H2,1-3H3,(H,22,27)/b24-23+

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H21Cl1N6O7
Molecular Weight 480.12
AlogP 5.64
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 174.08
Heavy Atoms 33.0

Cross References

Resources Reference
CAS NUMBER 68957-67-5
NORMAN SUSDAT
PubChem 111917
ChemSpider 98169.0
CONTENTS