Base information
| Cat. No. | |
| CAS No. | 380449-08-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C38H32B2N4O4 |
| Molecular Weight | 630.307 |
| Exact Mass | 630.261 |
| XLogP3 | 2.2934 |
| Mr | 198.453 |
| PSA | 93.22 |
| Sequence | - |
| Atom number | 80 |
| Bond number | 88 |
| Ring number | 9 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | C1COB(OC1)c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C=c\2/cc/c(=C(/C3=N/C(=C\c4[nH]c1cc4)/C=C3)\c1ccc(cc1)B1OCCCO1)/[nH]2 |
