Base information
| Cat. No. | |
| CAS No. | 86273-18-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H23N3O7S |
| Molecular Weight | 461.488 |
| Exact Mass | 461.126 |
| XLogP3 | 1.8606 |
| Mr | 117.139 |
| PSA | 170.38 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 58 |
| Ring number | 4 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | O=C([C@@H](c1ccccc1)N)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)OCc1oc(=O)oc1C)(C)C |
