4-[(1R,3aS,10aR,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-methyl-N-{[4-(4-methylpiperazin-1-yl)phenyl]methyl}butanamide
Chemical Structure Depiction of
4-[(1R,3aS,10aR,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-methyl-N-{[4-(4-methylpiperazin-1-yl)phenyl]methyl}butanamide
4-[(1R,3aS,10aR,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-methyl-N-{[4-(4-methylpiperazin-1-yl)phenyl]methyl}butanamide
Compound characteristics
| Compound ID: | N121-0850 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-methyl-N-{[4-(4-methylpiperazin-1-yl)phenyl]methyl}butanamide |
| Molecular Weight: | 509.74 |
| Molecular Formula: | C30 H47 N5 O2 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N(C)Cc2ccc(cc2)N2CCN(C)CC2)=O)N(C1)C(C)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0009 |
| logD: | -0.5766 |
| logSw: | -2.3737 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.484 |
| InChI Key: | XHARXPQYXZEFHP-MZAPLOMJSA-N |