Base information
| Cat. No. | |
| CAS No. | 117976-94-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H19N3O3S |
| Molecular Weight | 345.416 |
| Exact Mass | 345.115 |
| XLogP3 | 3.201 |
| Mr | 93.017 |
| PSA | 107.31 |
| Sequence | - |
| Atom number | 43 |
| Bond number | 45 |
| Ring number | 3 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | OCCCOc1ccnc(c1C)CS(=O)c1nc2c([nH]1)cccc2 |
