1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butan-1-one
Chemical Structure Depiction of
1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butan-1-one
1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butan-1-one
Compound characteristics
| Compound ID: | N121-1033 |
| Compound Name: | 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butan-1-one |
| Molecular Weight: | 545.73 |
| Molecular Formula: | C32 H43 N5 O3 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCN(CC2)c2ccccc2OC)=O)N(C1)C(c1cccnc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.2042 |
| logD: | -0.2576 |
| logSw: | -1.9646 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.421 |
| InChI Key: | GULIYQQSZQAUPC-ACXCVDCASA-N |