3,5-dimethoxy-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)phenyl]benzamide
Chemical Structure Depiction of
3,5-dimethoxy-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)phenyl]benzamide
3,5-dimethoxy-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K623-0477 |
| Compound Name: | 3,5-dimethoxy-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)phenyl]benzamide |
| Molecular Weight: | 630.75 |
| Molecular Formula: | C38 H38 N4 O5 |
| Smiles: | COc1cc(cc(c1)OC)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(N1CCC(=CC1)c1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0407 |
| logD: | 6.0382 |
| logSw: | -5.53 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.947 |
| InChI Key: | CCROXKMNEPXEKN-UHFFFAOYSA-N |