N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | N108-0253 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetamide |
| Molecular Weight: | 424.59 |
| Molecular Formula: | C25 H36 N4 O2 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(CC(NCCCN1CCc3ccccc3C1)=O)C2)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9134 |
| logD: | 0.7094 |
| logSw: | -2.3572 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.162 |
| InChI Key: | KEWFOWGAMVBNHM-UEVCKROQSA-N |