rel-(4aR,8aR)-4a-(azepane-1-carbonyl)-1-methyloctahydroquinolin-2(1H)-one
Chemical Structure Depiction of
rel-(4aR,8aR)-4a-(azepane-1-carbonyl)-1-methyloctahydroquinolin-2(1H)-one
rel-(4aR,8aR)-4a-(azepane-1-carbonyl)-1-methyloctahydroquinolin-2(1H)-one
Compound characteristics
| Compound ID: | T854-0037 |
| Compound Name: | rel-(4aR,8aR)-4a-(azepane-1-carbonyl)-1-methyloctahydroquinolin-2(1H)-one |
| Molecular Weight: | 292.42 |
| Molecular Formula: | C17 H28 N2 O2 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2C)=O)C(N1CCCCCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9209 |
| logD: | 1.9209 |
| logSw: | -1.8929 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.181 |
| InChI Key: | SNXPHFKMFZFKTE-YOEHRIQHSA-N |