rel-(4aR,8aS)-6-[(3-methylphenoxy)acetyl]-4a-(pyrrolidine-1-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one
Chemical Structure Depiction of
rel-(4aR,8aS)-6-[(3-methylphenoxy)acetyl]-4a-(pyrrolidine-1-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one
rel-(4aR,8aS)-6-[(3-methylphenoxy)acetyl]-4a-(pyrrolidine-1-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one
Compound characteristics
| Compound ID: | SB17-0103 |
| Compound Name: | rel-(4aR,8aS)-6-[(3-methylphenoxy)acetyl]-4a-(pyrrolidine-1-carbonyl)octahydro-1,6-naphthyridin-2(1H)-one |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C22 H29 N3 O4 |
| Smiles: | [H][C@@]12CCN(C[C@]1(CCC(N2)=O)C(N1CCCC1)=O)C(COc1cccc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2789 |
| logD: | 1.2789 |
| logSw: | -2.2218 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.237 |
| InChI Key: | ZXTLTXZZPJCWCW-GCJKJVERSA-N |