97171-75-0
Product Name:
disodium 1-phenyl-3-[[4-[(2-pyrimidinylamino)sulphonyl]phenyl]amino]propane-1,3-disulphonate
Formula:
C19H18N4Na2O8S3
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COMPUTED DESCRIPTORS
| Molecular Weight | 572.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 8 |
| Exact Mass | 572.00821563 g/mol |
| Monoisotopic Mass | 572.00821563 g/mol |
| Topological Polar Surface Area | 224 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 926 |
| 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 | 3 |
| Compound Is Canonicalized | Yes |