3-(morpholin-4-yl)-N-{5-[4-(4-nitrophenyl)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}propanamide
Chemical Structure Depiction of
3-(morpholin-4-yl)-N-{5-[4-(4-nitrophenyl)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}propanamide
3-(morpholin-4-yl)-N-{5-[4-(4-nitrophenyl)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}propanamide
Compound characteristics
| Compound ID: | K623-0341 |
| Compound Name: | 3-(morpholin-4-yl)-N-{5-[4-(4-nitrophenyl)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}propanamide |
| Molecular Weight: | 655.76 |
| Molecular Formula: | C35 H41 N7 O6 |
| Smiles: | C(CN1CCOCC1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8343 |
| logD: | 2.8046 |
| logSw: | -3.4938 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.45 |
| InChI Key: | NZAPJLLNAIKBFE-UHFFFAOYSA-N |