Base information
| Cat. No. | |
| CAS No. | 1187595-90-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H27N7O4S |
| Molecular Weight | 485.559 |
| Exact Mass | 485.185 |
| XLogP3 | 3.13458 |
| Mr | 128.468 |
| PSA | 144.38 |
| Sequence | - |
| Atom number | 61 |
| Bond number | 64 |
| Ring number | 4 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | N#CCC1(CN(C1)S(=O)(=O)CC)n1ncc(c1)c1ncnc2c1ccn2COC(=O)C(C)(C)C |
