4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
Chemical Structure Depiction of
4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
Compound characteristics
| Compound ID: | N121-0951 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one |
| Molecular Weight: | 494.72 |
| Molecular Formula: | C30 H46 N4 O2 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCN(CC2)CC(C)C)=O)N(C1)C(c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.8498 |
| logD: | 0.388 |
| logSw: | -3.1379 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.126 |
| InChI Key: | VYIAEQFGJCQEAR-LTGLEFCMSA-N |