rel-(4aR,8aS)-6-(3-fluoro-4-methoxybenzoyl)-4a-(pyrrolidine-1-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one
Chemical Structure Depiction of
rel-(4aR,8aS)-6-(3-fluoro-4-methoxybenzoyl)-4a-(pyrrolidine-1-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one
rel-(4aR,8aS)-6-(3-fluoro-4-methoxybenzoyl)-4a-(pyrrolidine-1-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one
Compound characteristics
| Compound ID: | SB17-0159 |
| Compound Name: | rel-(4aR,8aS)-6-(3-fluoro-4-methoxybenzoyl)-4a-(pyrrolidine-1-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one |
| Molecular Weight: | 403.45 |
| Molecular Formula: | C21 H26 F N3 O4 |
| Smiles: | [H][C@@]12CCN(C[C@]1(CCC(N2)=O)C(N1CCCC1)=O)C(c1ccc(c(c1)F)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9447 |
| logD: | 0.9447 |
| logSw: | -2.1512 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.896 |
| InChI Key: | HHXHLCAJELCLDG-UWJYYQICSA-N |