ethyl 4-[3-(2-bromo-5-methoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(2-bromo-5-methoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoyl]piperazine-1-carboxylate
ethyl 4-[3-(2-bromo-5-methoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K781-1741 |
| Compound Name: | ethyl 4-[3-(2-bromo-5-methoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoyl]piperazine-1-carboxylate |
| Molecular Weight: | 678.58 |
| Molecular Formula: | C33 H36 Br N5 O6 |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc(c(c1)NC(c1cc(ccc1[Br])OC)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3973 |
| logD: | 4.3184 |
| logSw: | -4.2322 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.454 |
| InChI Key: | DMTSSOHCVMYJGO-UHFFFAOYSA-N |