4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(4-ethylpiperazin-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-ethylpiperazin-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-ethylpiperazin-1-yl)butan-1-one
Compound characteristics
| Compound ID: | N121-0552 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(4-ethylpiperazin-1-yl)butan-1-one |
| Molecular Weight: | 452.68 |
| Molecular Formula: | C28 H44 N4 O |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCN(CC)CC2)=O)N(Cc2ccccc2)C1 |
| Stereo: | ABSOLUTE |
| logP: | 2.322 |
| logD: | 1.1119 |
| logSw: | -2.4218 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 26.1003 |
| InChI Key: | YVAYFBTZPPUDKR-IYUNARRTSA-N |