4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-[4-(3-methoxyphenyl)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-(3-methoxyphenyl)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-(3-methoxyphenyl)piperazin-1-yl]butan-1-one
Compound characteristics
| Compound ID: | N121-0898 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one |
| Molecular Weight: | 544.74 |
| Molecular Formula: | C33 H44 N4 O3 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCN(CC2)c2cccc(c2)OC)=O)N(C1)C(c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.499 |
| logD: | 1.0372 |
| logSw: | -3.8261 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.118 |
| InChI Key: | YIWSWVMCATUZIZ-BNXUFIDZSA-N |