2-bromo-5-methoxy-N-{5-[4-(2-methoxyphenyl)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}benzamide
Chemical Structure Depiction of
2-bromo-5-methoxy-N-{5-[4-(2-methoxyphenyl)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}benzamide
2-bromo-5-methoxy-N-{5-[4-(2-methoxyphenyl)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}benzamide
Compound characteristics
| Compound ID: | K781-1199 |
| Compound Name: | 2-bromo-5-methoxy-N-{5-[4-(2-methoxyphenyl)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}benzamide |
| Molecular Weight: | 712.64 |
| Molecular Formula: | C37 H38 Br N5 O5 |
| Smiles: | COc1ccc(c(c1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(N1CCN(CC1)c1ccccc1OC)=O)=O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4956 |
| logD: | 5.4166 |
| logSw: | -5.3876 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.264 |
| InChI Key: | PKWXCUWRLISMDX-UHFFFAOYSA-N |