N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-{[4-(trifluoromethoxy)phenyl]carbamoyl}phenyl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-{[4-(trifluoromethoxy)phenyl]carbamoyl}phenyl]thiophene-2-carboxamide
N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-{[4-(trifluoromethoxy)phenyl]carbamoyl}phenyl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | K623-0161 |
| Compound Name: | N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-{[4-(trifluoromethoxy)phenyl]carbamoyl}phenyl]thiophene-2-carboxamide |
| Molecular Weight: | 594.61 |
| Molecular Formula: | C30 H25 F3 N4 O4 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(c1cccs1)=O)C(Nc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3463 |
| logD: | 6.2432 |
| logSw: | -6.0348 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.529 |
| InChI Key: | QQLJDOIUQNBHCC-UHFFFAOYSA-N |