N-[(4-ethylphenyl)methyl]-2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-[(4-ethylphenyl)methyl]-2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetamide
N-[(4-ethylphenyl)methyl]-2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | N108-0264 |
| Compound Name: | N-[(4-ethylphenyl)methyl]-2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetamide |
| Molecular Weight: | 369.51 |
| Molecular Formula: | C22 H31 N3 O2 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(CC(NCc1ccc(CC)cc1)=O)C2)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.751 |
| logD: | 2.6055 |
| logSw: | -2.9097 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.676 |
| InChI Key: | LFFCOJJJNSJHCR-XUVXKRRUSA-N |