Base information
| Cat. No. | |
| CAS No. | 82619-04-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H18N5NaO6S2 |
| Molecular Weight | 451.453 |
| Exact Mass | 451.06 |
| XLogP3 | 0.4833 |
| Mr | 106.002 |
| PSA | 209.98 |
| Sequence | - |
| Atom number | 47 |
| Bond number | 48 |
| Ring number | 3 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC.[NaH] |
