Base information
| Cat. No. | |
| CAS No. | 207671-44-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C40H52N4O9S |
| Molecular Weight | 764.927 |
| Exact Mass | 764.346 |
| XLogP3 | 6.5859 |
| Mr | 216.739 |
| PSA | 183.39 |
| Sequence | - |
| Atom number | 106 |
| Bond number | 110 |
| Ring number | 8 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | OS(=O)(=O)O.C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.O |
