4-[(1R,3aS,10aR,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(1-benzylpiperidin-4-yl)butanamide
Chemical Structure Depiction of
4-[(1R,3aS,10aR,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(1-benzylpiperidin-4-yl)butanamide
4-[(1R,3aS,10aR,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(1-benzylpiperidin-4-yl)butanamide
Compound characteristics
| Compound ID: | N121-0725 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(1-benzylpiperidin-4-yl)butanamide |
| Molecular Weight: | 480.69 |
| Molecular Formula: | C29 H44 N4 O2 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NC2CCN(CC2)Cc2ccccc2)=O)N(C1)C(C)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7955 |
| logD: | -0.7821 |
| logSw: | -2.1963 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.398 |
| InChI Key: | UTQQQUVZBYXNEB-UNXBZVTQSA-N |