2-bromo-5-methoxy-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
Chemical Structure Depiction of
2-bromo-5-methoxy-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
2-bromo-5-methoxy-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K781-1785 |
| Compound Name: | 2-bromo-5-methoxy-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide |
| Molecular Weight: | 682.62 |
| Molecular Formula: | C36 H36 Br N5 O4 |
| Smiles: | COc1ccc(c(c1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(N1CCN(CC1)c1ccccc1)=O)=O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4949 |
| logD: | 5.4159 |
| logSw: | -5.447 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.935 |
| InChI Key: | DYNCVXCXQZABEV-UHFFFAOYSA-N |