4-[(1R,3aS,10aR,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(4-methylpiperazin-1-yl)butan-1-one
Chemical Structure Depiction of
4-[(1R,3aS,10aR,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(4-methylpiperazin-1-yl)butan-1-one
4-[(1R,3aS,10aR,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(4-methylpiperazin-1-yl)butan-1-one
Compound characteristics
| Compound ID: | N121-0778 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(4-methylpiperazin-1-yl)butan-1-one |
| Molecular Weight: | 390.57 |
| Molecular Formula: | C22 H38 N4 O2 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCN(C)CC2)=O)N(C1)C(C)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.0708 |
| logD: | -2.5068 |
| logSw: | -0.2272 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.53 |
| InChI Key: | LEDWGXVHBOUFJP-NXLVEIQXSA-N |