3-(4-tert-butylbenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
Chemical Structure Depiction of
3-(4-tert-butylbenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
3-(4-tert-butylbenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K781-0650 |
| Compound Name: | 3-(4-tert-butylbenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[3-(trifluoromethyl)phenyl]benzamide |
| Molecular Weight: | 628.7 |
| Molecular Formula: | C36 H35 F3 N4 O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.0802 |
| logD: | 7.5155 |
| logSw: | -5.724 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.573 |
| InChI Key: | UXBXNRPHBADCCX-UHFFFAOYSA-N |