4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(propan-2-yl)butanamide
Chemical Structure Depiction of
4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(propan-2-yl)butanamide
4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(propan-2-yl)butanamide
Compound characteristics
| Compound ID: | N121-0885 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(propan-2-yl)butanamide |
| Molecular Weight: | 411.59 |
| Molecular Formula: | C25 H37 N3 O2 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NC(C)C)=O)N(C1)C(c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.2582 |
| logD: | -0.2035 |
| logSw: | -2.5757 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.638 |
| InChI Key: | KHSYTZVLJNJSCJ-GBEXAXCTSA-N |