60662-80-8
Product Name:
disodium 1-[[4-[[(2,6-dimethyl-4-pyrimidinyl)amino]sulphonyl]phenyl]amino]-3-phenylpropane-1,3-disulphonate
Formula:
C21H22N4Na2O8S3
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COMPUTED DESCRIPTORS
| Molecular Weight | 579.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 10 |
| Exact Mass | 579.06539654 g/mol |
| Monoisotopic Mass | 579.06539654 g/mol |
| Topological Polar Surface Area | 218 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 1 |
| Complexity | 1020 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |