Base information
| Cat. No. | |
| CAS No. | 1332748-00-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C68H74B4N4O8 |
| Molecular Weight | 1118.58 |
| Exact Mass | 1118.59 |
| XLogP3 | 8.063 |
| Mr | 349.373 |
| PSA | 130.14 |
| Sequence | - |
| Atom number | 158 |
| Bond number | 170 |
| Ring number | 13 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CC1(C)OB(OC1(C)C)c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)/C=C3)\c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)/[nH]2)/c1ccc(cc1)B1OC(C(O1)(C)C)(C)C |
