3-(3,5-dimethoxybenzamido)-N-[2-(methylsulfanyl)phenyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Chemical Structure Depiction of
3-(3,5-dimethoxybenzamido)-N-[2-(methylsulfanyl)phenyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
3-(3,5-dimethoxybenzamido)-N-[2-(methylsulfanyl)phenyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Compound characteristics
| Compound ID: | K623-0774 |
| Compound Name: | 3-(3,5-dimethoxybenzamido)-N-[2-(methylsulfanyl)phenyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 610.73 |
| Molecular Formula: | C34 H34 N4 O5 S |
| Smiles: | COc1cc(cc(c1)OC)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(Nc1ccccc1SC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7617 |
| logD: | 5.709 |
| logSw: | -5.4569 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.963 |
| InChI Key: | QZRKDJVGNSLKPS-UHFFFAOYSA-N |