rel-(4aR,8aR)-1-methyl-2-oxo-N-[2-(pyridin-2-yl)ethyl]octahydroquinoline-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-methyl-2-oxo-N-[2-(pyridin-2-yl)ethyl]octahydroquinoline-4a(2H)-carboxamide
rel-(4aR,8aR)-1-methyl-2-oxo-N-[2-(pyridin-2-yl)ethyl]octahydroquinoline-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | T854-0287 |
| Compound Name: | rel-(4aR,8aR)-1-methyl-2-oxo-N-[2-(pyridin-2-yl)ethyl]octahydroquinoline-4a(2H)-carboxamide |
| Molecular Weight: | 315.41 |
| Molecular Formula: | C18 H25 N3 O2 |
| Smiles: | [H][C@]12CCCC[C@@]1(CCC(N2C)=O)C(NCCc1ccccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8637 |
| logD: | 0.8588 |
| logSw: | -1.7893 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50 |
| InChI Key: | DOXURKVGDLCYMM-YJBOKZPZSA-N |