HYDROGEN BIS[3-[(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)AZO]-4-HYDROXY-N-ISOPROPYLBENZENESULPHONAMIDATO(2-)]COBALTATE(1-) , COMPOUND WITH ISOPROPYLAMINE (1:1)

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

Structure

InChI Key UYYODJYFOZNVRL-UHFFFAOYSA-N
Smiles [Co+3].[H+].CC(C)N.CC(C)N[S](=O)(=O)c1ccc([O-])c(c1)N=Nc2c(C)nn(c3ccccc3)c2[O-].CC(C)N[S](=O)(=O)c4ccc([O-])c(c4)N=Nc5c(C)nn(c6ccccc6)c5[O-]
InChI
InChI=1S/C19H21N5O4S/c1-12(2)23-29(27,28)15-9-10-17(25)16(11-15)20-21-18-13(3)22-24(19(18)26)14-7-5-4-6-8-14/h4-12,23,25-26H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H21N5O4S1
Molecular Weight 415.13
AlogP 3.69
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 129.17
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 71839-74-2
NORMAN SUSDAT
CONTENTS