Base information
| Cat. No. | |
| CAS No. | 151602-49-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H17N3O3S |
| Molecular Weight | 331.389 |
| Exact Mass | 331.099 |
| XLogP3 | 3.4624 |
| Mr | 89.2302 |
| PSA | 107.31 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 42 |
| Ring number | 3 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COc1c(C)cnc(c1C)CS(=O)c1nc2c([nH]1)cc(cc2)O |
