3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[4-(propan-2-yl)phenyl]benzamide
Chemical Structure Depiction of
3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[4-(propan-2-yl)phenyl]benzamide
3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[4-(propan-2-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | K621-0051 |
| Compound Name: | 3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[4-(propan-2-yl)phenyl]benzamide |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C27 H28 N4 O4 |
| Smiles: | CC(C)c1ccc(cc1)NC(c1ccc(c(c1)[N+]([O-])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1555 |
| logD: | 5.1536 |
| logSw: | -5.1293 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.261 |
| InChI Key: | BCNJHOSTKBPZCQ-UHFFFAOYSA-N |