Base information
| Cat. No. | |
| CAS No. | 24356-60-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H16N3NaO6S2 |
| Molecular Weight | 445.445 |
| Exact Mass | 445.038 |
| XLogP3 | -0.5305 |
| Mr | 102.851 |
| PSA | 179.33 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 46 |
| Ring number | 3 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])COC(=O)C)CSc1ccncc1.[Na+] |
