rel-(4aR,8aS)-1-(2-methoxyethyl)-4a-(pyrrolidine-1-carbonyl)-6-(thiophene-3-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one
Chemical Structure Depiction of
rel-(4aR,8aS)-1-(2-methoxyethyl)-4a-(pyrrolidine-1-carbonyl)-6-(thiophene-3-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one
rel-(4aR,8aS)-1-(2-methoxyethyl)-4a-(pyrrolidine-1-carbonyl)-6-(thiophene-3-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one
Compound characteristics
| Compound ID: | SB17-0905 |
| Compound Name: | rel-(4aR,8aS)-1-(2-methoxyethyl)-4a-(pyrrolidine-1-carbonyl)-6-(thiophene-3-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C21 H29 N3 O4 S |
| Smiles: | [H][C@@]12CCN(C[C@]1(CCC(N2CCOC)=O)C(N1CCCC1)=O)C(c1ccsc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0906 |
| logD: | 1.0906 |
| logSw: | -2.0942 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.179 |
| InChI Key: | KQGCKRJCAYRGIB-UWJYYQICSA-N |