3-[3-(morpholin-4-yl)propanamido]-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-[3-(morpholin-4-yl)propanamido]-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-[3-(morpholin-4-yl)propanamido]-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: | K623-0165 |
| Compound Name: | 3-[3-(morpholin-4-yl)propanamido]-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: | 625.65 |
| Molecular Formula: | C32 H34 F3 N5 O5 |
| Smiles: | C(CN1CCOCC1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(Nc1ccc(cc1)OC(F)(F)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3461 |
| logD: | 4.2899 |
| logSw: | -4.4174 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.188 |
| InChI Key: | WWWDZSKHUYSGDS-UHFFFAOYSA-N |