rel-(4aR,8aS)-6-[(3,5-dimethoxyphenyl)acetyl]-4a-(pyrrolidine-1-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one
Chemical Structure Depiction of
rel-(4aR,8aS)-6-[(3,5-dimethoxyphenyl)acetyl]-4a-(pyrrolidine-1-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one
rel-(4aR,8aS)-6-[(3,5-dimethoxyphenyl)acetyl]-4a-(pyrrolidine-1-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one
Compound characteristics
| Compound ID: | SB17-0119 |
| Compound Name: | rel-(4aR,8aS)-6-[(3,5-dimethoxyphenyl)acetyl]-4a-(pyrrolidine-1-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C23 H31 N3 O5 |
| Smiles: | [H][C@@]12CCN(C[C@]1(CCC(N2)=O)C(N1CCCC1)=O)C(Cc1cc(cc(c1)OC)OC)=O |
| Stereo: | RELATIVE |
| logP: | 1.3525 |
| logD: | 1.3525 |
| logSw: | -1.9548 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.825 |
| InChI Key: | IGTOAIMRQCVOKM-XXBNENTESA-N |