3-(3,5-dimethoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-phenyl-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
3-(3,5-dimethoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-phenyl-N-(prop-2-en-1-yl)benzamide
3-(3,5-dimethoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-phenyl-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | K623-0213 |
| Compound Name: | 3-(3,5-dimethoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-phenyl-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 604.71 |
| Molecular Formula: | C36 H36 N4 O5 |
| Smiles: | COc1cc(cc(c1)OC)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(N(CC=C)c1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8714 |
| logD: | 5.8609 |
| logSw: | -5.5061 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.171 |
| InChI Key: | LOQKCRZNSWWXAN-UHFFFAOYSA-N |