Base information
| Cat. No. | |
| CAS No. | 162652-95-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C45H54F2N4O8 |
| Molecular Weight | 816.929 |
| Exact Mass | 816.391 |
| XLogP3 | 5.0195 |
| Mr | 226.657 |
| PSA | 133.87 |
| Sequence | - |
| Atom number | 113 |
| Bond number | 121 |
| Ring number | 9 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | COc1cc2N(C)[C@@H]3[C@@]4(c2cc1[C@]1(C[C@H]2C[N@@](Cc5c1[nH]c1c5cccc1)C[C@@H](C2)C(F)(F)C)C(=O)OC)CCN1[C@H]4[C@@]([C@H]([C@]3(O)C(=O)OC)OC(=O)C)(CC)C=CC1 |
