Base information
| Cat. No. | |
| CAS No. | 116091-77-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C19H20N4O2S |
| Molecular Weight | 368.453 |
| Exact Mass | 368.131 |
| XLogP3 | 3.088 |
| Mr | 107.083 |
| PSA | 97.69 |
| Sequence | - |
| Atom number | 46 |
| Bond number | 49 |
| Ring number | 4 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COc1c(C)cnc(c1C)CSc1nc2c([nH]1)cc(cc2)C1=NCCO1 |
