Base information
| Cat. No. | |
| CAS No. | 1459687-89-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H14N4O3S |
| Molecular Weight | 342.372 |
| Exact Mass | 342.079 |
| XLogP3 | 2.5146 |
| Mr | 89.3818 |
| PSA | 115.43 |
| Sequence | - |
| Atom number | 38 |
| Bond number | 40 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | COc1cccc(c1)n1c(SCC(=O)O)nnc1c1ccccn1 |
