3-(4-methoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(thiophen-2-yl)methyl]benzamide
Chemical Structure Depiction of
3-(4-methoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(thiophen-2-yl)methyl]benzamide
3-(4-methoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(thiophen-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K623-0613 |
| Compound Name: | 3-(4-methoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(thiophen-2-yl)methyl]benzamide |
| Molecular Weight: | 554.67 |
| Molecular Formula: | C31 H30 N4 O4 S |
| Smiles: | COc1ccc(cc1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(NCc1cccs1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8658 |
| logD: | 4.7717 |
| logSw: | -4.6127 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.458 |
| InChI Key: | OMNUEOKAQAFDFR-UHFFFAOYSA-N |