4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(2-methoxy-5-methylphenyl)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-(2-methoxy-5-methylphenyl)butanamide
4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(2-methoxy-5-methylphenyl)butanamide
Compound characteristics
| Compound ID: | N121-0909 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(2-methoxy-5-methylphenyl)butanamide |
| Molecular Weight: | 489.66 |
| Molecular Formula: | C30 H39 N3 O3 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(Nc2cc(C)ccc2OC)=O)N(C1)C(c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.1869 |
| logD: | 0.7252 |
| logSw: | -3.3949 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.003 |
| InChI Key: | QHWNUCSCPYNKFU-HIJQLYNKSA-N |