3,4,5-trimethoxy-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}benzamide
Chemical Structure Depiction of
3,4,5-trimethoxy-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}benzamide
3,4,5-trimethoxy-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}benzamide
Compound characteristics
| Compound ID: | K623-0333 |
| Compound Name: | 3,4,5-trimethoxy-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}benzamide |
| Molecular Weight: | 708.77 |
| Molecular Formula: | C38 H40 N6 O8 |
| Smiles: | COc1cc(cc(c1OC)OC)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7028 |
| logD: | 4.7015 |
| logSw: | -4.4708 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.75 |
| InChI Key: | DWFDHFWMLBRBEY-UHFFFAOYSA-N |