rel-(4aR,8aR)-N-{[4-(dimethylamino)phenyl]methyl}-2-oxo-1-(2-phenylethyl)octahydroquinoline-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-N-{[4-(dimethylamino)phenyl]methyl}-2-oxo-1-(2-phenylethyl)octahydroquinoline-4a(2H)-carboxamide
rel-(4aR,8aR)-N-{[4-(dimethylamino)phenyl]methyl}-2-oxo-1-(2-phenylethyl)octahydroquinoline-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | T854-1402 |
| Compound Name: | rel-(4aR,8aR)-N-{[4-(dimethylamino)phenyl]methyl}-2-oxo-1-(2-phenylethyl)octahydroquinoline-4a(2H)-carboxamide |
| Molecular Weight: | 433.59 |
| Molecular Formula: | C27 H35 N3 O2 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2CCc1ccccc1)=O)C(NCc1ccc(cc1)N(C)C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0583 |
| logD: | 4.0429 |
| logSw: | -4.0741 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.361 |
| InChI Key: | SZJOGBATTXYCIP-IGKIAQTJSA-N |