Base information
| Cat. No. | |
| CAS No. | 117976-91-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H19N3O2S |
| Molecular Weight | 329.417 |
| Exact Mass | 329.12 |
| XLogP3 | 3.3198 |
| Mr | 92.3305 |
| PSA | 96.33 |
| Sequence | - |
| Atom number | 42 |
| Bond number | 44 |
| Ring number | 3 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | OCCCOc1ccnc(c1C)CSc1nc2c([nH]1)cccc2 |
