4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]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-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]butanamide
4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]butanamide
Compound characteristics
| Compound ID: | N121-0992 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]butanamide |
| Molecular Weight: | 542.77 |
| Molecular Formula: | C34 H46 N4 O2 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NCCCN2CCc3ccccc3C2)=O)N(C1)C(c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.1434 |
| logD: | 0.6816 |
| logSw: | -3.1949 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.879 |
| InChI Key: | JPTBLGFPVIDPFR-HYVPQZRVSA-N |