Base information
| Cat. No. | |
| CAS No. | 74684-35-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C56H54N4O12 |
| Molecular Weight | 975.048 |
| Exact Mass | 974.374 |
| XLogP3 | 6.9694 |
| Mr | 281.373 |
| PSA | 167.06 |
| Sequence | - |
| Atom number | 126 |
| Bond number | 134 |
| Ring number | 9 |
| Rotor number | 16 |
| Residues number | 0 |
| Canonical smiles | COc1cc(cc(c1OC)OC)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/c1cc(OC)c(c(c1)OC)OC)/C=C3)\c1cc(OC)c(c(c1)OC)OC)/[nH]2)/c1cc(OC)c(c(c1)OC)OC |
