COBALTATE(1-), BIS[N-(2-CHLOROPHENYL)-2-[[2-HYDROXY-5-[(METHYLAMINO)SULFONYL]PH ENYL]AZO]-3-OXOBUTANAMIDATO(2-)]-, SODIUM

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Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key MEMAKMVPPFASSB-UHFFFAOYSA-N
Smiles [Cr+3].Cc1nn(c([O-])c1N=Nc2c([O-])cc(c3ccccc23)[S]([O-])(=O)=O)c4ccccc4
InChI
InChI=1S/C20H16N4O5S/c1-12-18(20(26)24(23-12)13-7-3-2-4-8-13)21-22-19-15-10-6-5-9-14(15)17(11-16(19)25)30(27,28)29/h2-11,25-26H,1H3,(H,27,28,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H16N4O5S1
Molecular Weight 424.08
AlogP 4.41
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 137.37
Heavy Atoms 30.0

Cross References

Resources Reference
CAS NUMBER 70247-73-3
NORMAN SUSDAT
CONTENTS