1-(4-cyclohexylpiperazin-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-cyclohexylpiperazin-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-cyclohexylpiperazin-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: | N121-1027 |
| Compound Name: | 1-(4-cyclohexylpiperazin-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: | 521.75 |
| Molecular Formula: | C31 H47 N5 O2 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCN(CC2)C2CCCCC2)=O)N(C1)C(c1cccnc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.2253 |
| logD: | -0.2365 |
| logSw: | -1.9442 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.925 |
| InChI Key: | NEJTWIDCHOOSMB-MZAPLOMJSA-N |