1-[4-(prop-2-en-1-yl)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-(prop-2-en-1-yl)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-(prop-2-en-1-yl)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: | N121-1088 |
| Compound Name: | 1-[4-(prop-2-en-1-yl)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: | 479.67 |
| Molecular Formula: | C28 H41 N5 O2 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCN(CC2)CC=C)=O)N(C1)C(c1cccnc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9876 |
| logD: | -1.4742 |
| logSw: | -1.0042 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.622 |
| InChI Key: | OJUXDNWYZVXTDL-DLGLWYJGSA-N |