5-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}furan-2-carboxamide
Chemical Structure Depiction of
5-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}furan-2-carboxamide
5-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}furan-2-carboxamide
Compound characteristics
| Compound ID: | K623-0108 |
| Compound Name: | 5-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}furan-2-carboxamide |
| Molecular Weight: | 677 |
| Molecular Formula: | C33 H31 Br Cl N5 O4 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(c1ccc(o1)[Br])=O)C(N1CCN(CC1)c1ccccc1[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6867 |
| logD: | 5.1717 |
| logSw: | -5.9863 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.016 |
| InChI Key: | QBQYCPRLHJBDQJ-UHFFFAOYSA-N |