N-[4-AMINO-3-[[[(1-AMINO-9,10-DIHYDRO-9,10-DIOXO-2-ANTHRYL)METHYLENE]HYDRAZONO]METHYL]-9,10-DIHYDRO-9,10-DIOXO-1-ANTHRYL]BENZAMIDE

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

Structure

InChI Key MPCJTVKCXGFKRM-UHFFFAOYSA-N
Smiles O=C(NC1=CC(C=NN=CC2=CC=C3C(=O)C=4C=CC=CC4C(=O)C3=C2N)=C(N)C=5C(=O)C=6C=CC=CC6C(=O)C15)C=7C=CC=CC7
InChI
InChI=1/C37H23N5O5/c38-31-20(14-15-26-28(31)34(44)23-11-5-4-10-22(23)33(26)43)17-40-41-18-21-16-27(42-37(47)19-8-2-1-3-9-19)29-30(32(21)39)36(46)25-13-7-6-12-24(25)35(29)45/h1-18H,38-39H2,(H,42,47)

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H23N5O5
Molecular Weight 617.17
AlogP 5.49
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 177.63
Heavy Atoms 47.0

Cross References

Resources Reference
CAS NUMBER 83721-63-5
NORMAN SUSDAT
PubChem 5743758
CONTENTS