Base information
| Cat. No. | |
| CAS No. | 22181-94-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H19N5O3S |
| Molecular Weight | 337.397 |
| Exact Mass | 337.121 |
| XLogP3 | 1.6855 |
| Mr | 86.1474 |
| PSA | 135.16 |
| Sequence | - |
| Atom number | 42 |
| Bond number | 43 |
| Ring number | 2 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)CNC(=O)CCCCSc1ncnc2c1nc[nH]2 |
