rel-(4aR,8aS)-6-(4-phenylbutanoyl)-4a-(pyrrolidine-1-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one
Chemical Structure Depiction of
rel-(4aR,8aS)-6-(4-phenylbutanoyl)-4a-(pyrrolidine-1-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one
rel-(4aR,8aS)-6-(4-phenylbutanoyl)-4a-(pyrrolidine-1-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one
Compound characteristics
| Compound ID: | SB17-0186 |
| Compound Name: | rel-(4aR,8aS)-6-(4-phenylbutanoyl)-4a-(pyrrolidine-1-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C23 H31 N3 O3 |
| Smiles: | [H][C@@]12CCN(C[C@]1(CCC(N2)=O)C(N1CCCC1)=O)C(CCCc1ccccc1)=O |
| Stereo: | RELATIVE |
| logP: | 2.1755 |
| logD: | 2.1755 |
| logSw: | -2.4793 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.738 |
| InChI Key: | HGGTZOCPBLXOKR-XXBNENTESA-N |