rel-(4aR,8aR)-N-[(3,5-difluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-2-oxooctahydroquinoline-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-N-[(3,5-difluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-2-oxooctahydroquinoline-4a(2H)-carboxamide
rel-(4aR,8aR)-N-[(3,5-difluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-2-oxooctahydroquinoline-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | T854-1324 |
| Compound Name: | rel-(4aR,8aR)-N-[(3,5-difluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-2-oxooctahydroquinoline-4a(2H)-carboxamide |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C21 H29 F2 N3 O2 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2CCN(C)C)=O)C(NCc1cc(cc(c1)F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6172 |
| logD: | 1.1934 |
| logSw: | -2.7289 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.693 |
| InChI Key: | UJDJFYQOQJQBLC-RXVVDRJESA-N |