3-(4-methoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
Chemical Structure Depiction of
3-(4-methoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
3-(4-methoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
Compound characteristics
| Compound ID: | K623-0162 |
| Compound Name: | 3-(4-methoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide |
| Molecular Weight: | 618.61 |
| Molecular Formula: | C33 H29 F3 N4 O5 |
| Smiles: | COc1ccc(cc1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(Nc1ccc(cc1)OC(F)(F)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.4161 |
| logD: | 6.1038 |
| logSw: | -5.6207 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.054 |
| InChI Key: | GTMFQZJEROHFAX-UHFFFAOYSA-N |