Base information
| Cat. No. | |
| CAS No. | 1605314-84-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H23N3O7S |
| Molecular Weight | 461.488 |
| Exact Mass | 461.126 |
| XLogP3 | 2.5655 |
| Mr | 118.972 |
| PSA | 173.56 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 57 |
| Ring number | 3 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)Oc1ccc(cc1)[C@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)/C=C\C)N |
