Base information
| Cat. No. | |
| CAS No. | 1061318-81-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H30N6O2S |
| Molecular Weight | 442.578 |
| Exact Mass | 442.215 |
| XLogP3 | 4.5672 |
| Mr | 125.413 |
| PSA | 115.76 |
| Sequence | - |
| Atom number | 61 |
| Bond number | 64 |
| Ring number | 4 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CN(c1cc2OCOc2cc1Sc1nc2c(n1CCNCC(C)(C)C)ccnc2N)C |
