4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]butan-1-one
Chemical Structure Depiction of
4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]butan-1-one
4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]butan-1-one
Compound characteristics
| Compound ID: | N121-0539 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]butan-1-one |
| Molecular Weight: | 501.72 |
| Molecular Formula: | C31 H43 N5 O |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCN(CC2)c2ccccn2)=O)N(Cc2ccccc2)C1 |
| Stereo: | ABSOLUTE |
| logP: | 3.4621 |
| logD: | 2.252 |
| logSw: | -3.4719 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.335 |
| InChI Key: | WWGHSNOPCLDIRX-QNCJLPSESA-N |