Base information
| Cat. No. | |
| CAS No. | 1329613-29-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H13F3KN3O3S |
| Molecular Weight | 423.451 |
| Exact Mass | 423.027 |
| XLogP3 | 4.5247 |
| Mr | 87.3717 |
| PSA | 110.14 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 41 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | [O-]c1ccc2c(c1)nc([nH]2)S(=O)Cc1nccc(c1C)OCC(F)(F)F.[K+] |
