rel-(4aR,8aR)-N-[(3-methoxyphenyl)methyl]-2-oxo-1-(2-phenylethyl)octahydroquinoline-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-N-[(3-methoxyphenyl)methyl]-2-oxo-1-(2-phenylethyl)octahydroquinoline-4a(2H)-carboxamide
rel-(4aR,8aR)-N-[(3-methoxyphenyl)methyl]-2-oxo-1-(2-phenylethyl)octahydroquinoline-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | T854-1390 |
| Compound Name: | rel-(4aR,8aR)-N-[(3-methoxyphenyl)methyl]-2-oxo-1-(2-phenylethyl)octahydroquinoline-4a(2H)-carboxamide |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C26 H32 N2 O3 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2CCc1ccccc1)=O)C(NCc1cccc(c1)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0656 |
| logD: | 4.0656 |
| logSw: | -4.1375 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.1 |
| InChI Key: | YAKKHCZWOIQLTO-OZXSUGGESA-N |