31676-23-0
Product Name:
sodium S-[2-[[[4-[[1-[[(2,4-dimethoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]sulphonyl]amino]ethyl] thiosulphate
Formula:
C20H23N4NaO9S3
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COMPUTED DESCRIPTORS
| Molecular Weight | 582.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 13 |
| Exact Mass | 582.05248613 g/mol |
| Monoisotopic Mass | 582.05248613 g/mol |
| Topological Polar Surface Area | 234 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 994 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |