1-(4-benzylpiperazin-1-yl)-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butan-1-one
Chemical Structure Depiction of
1-(4-benzylpiperazin-1-yl)-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butan-1-one
1-(4-benzylpiperazin-1-yl)-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | N121-0641 |
| Compound Name: | 1-(4-benzylpiperazin-1-yl)-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butan-1-one |
| Molecular Weight: | 515.74 |
| Molecular Formula: | C32 H45 N5 O |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCN(CC2)Cc2ccccc2)=O)N(Cc2cccnc2)C1 |
| Stereo: | ABSOLUTE |
| logP: | 2.1623 |
| logD: | 0.9523 |
| logSw: | -1.9613 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.622 |
| InChI Key: | ZVDMJNAHADBNEL-PBAMLIMUSA-N |