rel-(4aR,8aR)-1-[2-(dimethylamino)ethyl]-N-[(3-ethoxyphenyl)methyl]-2-oxooctahydroquinoline-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-[2-(dimethylamino)ethyl]-N-[(3-ethoxyphenyl)methyl]-2-oxooctahydroquinoline-4a(2H)-carboxamide
rel-(4aR,8aR)-1-[2-(dimethylamino)ethyl]-N-[(3-ethoxyphenyl)methyl]-2-oxooctahydroquinoline-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | T854-1213 |
| Compound Name: | rel-(4aR,8aR)-1-[2-(dimethylamino)ethyl]-N-[(3-ethoxyphenyl)methyl]-2-oxooctahydroquinoline-4a(2H)-carboxamide |
| Molecular Weight: | 401.55 |
| Molecular Formula: | C23 H35 N3 O3 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2CCN(C)C)=O)C(NCc1cccc(c1)OCC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.569 |
| logD: | 1.1452 |
| logSw: | -2.7105 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.817 |
| InChI Key: | GBIFGSBHGFEWFW-REWPJTCUSA-N |