4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]butan-1-one
Chemical Structure Depiction of
4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]butan-1-one
4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]butan-1-one
Compound characteristics
| Compound ID: | N121-0953 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]butan-1-one |
| Molecular Weight: | 535.77 |
| Molecular Formula: | C32 H49 N5 O2 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCN(CC2)C2CCN(C)CC2)=O)N(C1)C(c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.807 |
| logD: | -0.6548 |
| logSw: | -1.9914 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 41.884 |
| InChI Key: | SIYVLOAJNTVOHJ-PYXCEVMUSA-N |