Base information
| Cat. No. | |
| CAS No. | 87314-56-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H17N3O3S |
| Molecular Weight | 331.389 |
| Exact Mass | 331.099 |
| XLogP3 | -0.6526 |
| Mr | 88.7439 |
| PSA | 115.64 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 43 |
| Ring number | 4 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=C1[C@@H](N)[C@@H]2N1C(=C(CS2)C[n+]1cccc2c1CCC2)C(=O)[O-] |
