N-{5-[(3,4-difluorophenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-{5-[(3,4-difluorophenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-3,4,5-trimethoxybenzamide
N-{5-[(3,4-difluorophenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | K623-0641 |
| Compound Name: | N-{5-[(3,4-difluorophenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 630.65 |
| Molecular Formula: | C34 H32 F2 N4 O6 |
| Smiles: | COc1cc(cc(c1OC)OC)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(Nc1ccc(c(c1)F)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3799 |
| logD: | 5.0187 |
| logSw: | -5.4384 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.551 |
| InChI Key: | OWCJHVSEAYJUAM-UHFFFAOYSA-N |