1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-[(1R,3aS,10aR,10bS)-2-methyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butan-1-one
Chemical Structure Depiction of
1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-[(1R,3aS,10aR,10bS)-2-methyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butan-1-one
1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-[(1R,3aS,10aR,10bS)-2-methyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butan-1-one
Compound characteristics
| Compound ID: | N121-0038 |
| Compound Name: | 1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-[(1R,3aS,10aR,10bS)-2-methyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butan-1-one |
| Molecular Weight: | 454.66 |
| Molecular Formula: | C27 H42 N4 O2 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCN(CC2)c2cccc(c2)OC)=O)N(C)C1 |
| Stereo: | ABSOLUTE |
| logP: | 2.2584 |
| logD: | 0.9009 |
| logSw: | -2.6835 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.354 |
| InChI Key: | HAAQAAAGNOYIDE-VBCUVWSKSA-N |