Base information
| Cat. No. | |
| CAS No. | 1198791-74-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C39H35NO5S |
| Molecular Weight | 629.764 |
| Exact Mass | 629.224 |
| XLogP3 | 8.4932 |
| Mr | 182.25 |
| PSA | 110.16 |
| Sequence | - |
| Atom number | 81 |
| Bond number | 86 |
| Ring number | 6 |
| Rotor number | 13 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)C(c1ccccc1)(c1ccccc1)SC[C@@](C(=O)O)(NC(=O)OCC1c2ccccc2-c2c1cccc2)C |
