rel-(4aR,8aR)-N-methyl-1-(3-methylbutyl)-2-oxo-N-[2-(pyridin-2-yl)ethyl]octahydroquinoline-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-N-methyl-1-(3-methylbutyl)-2-oxo-N-[2-(pyridin-2-yl)ethyl]octahydroquinoline-4a(2H)-carboxamide
rel-(4aR,8aR)-N-methyl-1-(3-methylbutyl)-2-oxo-N-[2-(pyridin-2-yl)ethyl]octahydroquinoline-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | T854-0912 |
| Compound Name: | rel-(4aR,8aR)-N-methyl-1-(3-methylbutyl)-2-oxo-N-[2-(pyridin-2-yl)ethyl]octahydroquinoline-4a(2H)-carboxamide |
| Molecular Weight: | 385.55 |
| Molecular Formula: | C23 H35 N3 O2 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2CCC(C)C)=O)C(N(C)CCc1ccccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0882 |
| logD: | 3.0814 |
| logSw: | -3.1834 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.086 |
| InChI Key: | ATCJHKAETKXJQQ-NFBKMPQASA-N |