Base information
| Cat. No. | |
| CAS No. | 113-98-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H17KN2O4S |
| Molecular Weight | 372.48 |
| Exact Mass | 372.055 |
| XLogP3 | -0.1451 |
| Mr | 87.9142 |
| PSA | 114.84 |
| Sequence | - |
| Atom number | 41 |
| Bond number | 42 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)[O-])(C)C.[K+] |
