rel-(4aR,8aS)-6-(2-ethylbutanoyl)-4a-(pyrrolidine-1-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one
Chemical Structure Depiction of
rel-(4aR,8aS)-6-(2-ethylbutanoyl)-4a-(pyrrolidine-1-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one
rel-(4aR,8aS)-6-(2-ethylbutanoyl)-4a-(pyrrolidine-1-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one
Compound characteristics
| Compound ID: | SB17-0167 |
| Compound Name: | rel-(4aR,8aS)-6-(2-ethylbutanoyl)-4a-(pyrrolidine-1-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one |
| Molecular Weight: | 349.47 |
| Molecular Formula: | C19 H31 N3 O3 |
| Smiles: | [H][C@@]12CCN(C[C@]1(CCC(N2)=O)C(N1CCCC1)=O)C(C(CC)CC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4828 |
| logD: | 1.4828 |
| logSw: | -1.6329 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.537 |
| InChI Key: | JBHDXWLYNQTLCJ-BEFAXECRSA-N |