N-[5-(azepane-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-2-bromobenzamide
Chemical Structure Depiction of
N-[5-(azepane-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-2-bromobenzamide
N-[5-(azepane-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-2-bromobenzamide
Compound characteristics
| Compound ID: | K781-1784 |
| Compound Name: | N-[5-(azepane-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-2-bromobenzamide |
| Molecular Weight: | 589.53 |
| Molecular Formula: | C31 H33 Br N4 O3 |
| Smiles: | C1CCCN(CC1)C(c1ccc(c(c1)NC(c1ccccc1[Br])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0447 |
| logD: | 4.7875 |
| logSw: | -4.7539 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.462 |
| InChI Key: | XDGJZHRTRSAWDN-UHFFFAOYSA-N |