Base information
| Cat. No. | |
| CAS No. | 131060-14-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C27H31NOS2 |
| Molecular Weight | 449.671 |
| Exact Mass | 449.185 |
| XLogP3 | 7.4832 |
| Mr | 136.778 |
| PSA | 68.95 |
| Sequence | - |
| Atom number | 62 |
| Bond number | 64 |
| Ring number | 3 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | CCN(Cc1cccc(c1)OCc1scc(c1)c1cscc1)C/C=C/C#CC(C)(C)C |
