2-bromo-N-{5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-5-methoxybenzamide
Chemical Structure Depiction of
2-bromo-N-{5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-5-methoxybenzamide
2-bromo-N-{5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-5-methoxybenzamide
Compound characteristics
| Compound ID: | K781-1569 |
| Compound Name: | 2-bromo-N-{5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-5-methoxybenzamide |
| Molecular Weight: | 717.06 |
| Molecular Formula: | C36 H35 Br Cl N5 O4 |
| Smiles: | COc1ccc(c(c1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(N1CCN(CC1)c1ccccc1[Cl])=O)=O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1695 |
| logD: | 6.0905 |
| logSw: | -5.9432 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.634 |
| InChI Key: | UELZRWFLCBPNQS-UHFFFAOYSA-N |