Base information
| Cat. No. | |
| CAS No. | 1454619-13-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H19N5S |
| Molecular Weight | 337.442 |
| Exact Mass | 337.136 |
| XLogP3 | 4.1227 |
| Mr | 97.9924 |
| PSA | 94.92 |
| Sequence | - |
| Atom number | 43 |
| Bond number | 45 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | C#CCCCn1cnc(c2-c1nc(n2)Sc1ccc(cc1C)C)N |
