4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-one
Chemical Structure Depiction of
4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-one
4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-one
Compound characteristics
Compound ID: | N121-0591 |
Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-one |
Molecular Weight: | 502.7 |
Molecular Formula: | C30 H42 N6 O |
Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCN(CC2)c2ncccn2)=O)N(Cc2ccccc2)C1 |
Stereo: | ABSOLUTE |
logP: | 2.9591 |
logD: | 1.749 |
logSw: | -3.078 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 44.186 |
InChI Key: | SZWUWLNZVULMDX-LTGLEFCMSA-N |