4-{(1R,3aS,10aR,10bS)-2-[3-(4-methoxyphenyl)propanoyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-1-(morpholin-4-yl)butan-1-one
Chemical Structure Depiction of
4-{(1R,3aS,10aR,10bS)-2-[3-(4-methoxyphenyl)propanoyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-1-(morpholin-4-yl)butan-1-one
4-{(1R,3aS,10aR,10bS)-2-[3-(4-methoxyphenyl)propanoyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-1-(morpholin-4-yl)butan-1-one
Compound characteristics
| Compound ID: | N106-0373 |
| Compound Name: | 4-{(1R,3aS,10aR,10bS)-2-[3-(4-methoxyphenyl)propanoyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-1-(morpholin-4-yl)butan-1-one |
| Molecular Weight: | 497.68 |
| Molecular Formula: | C29 H43 N3 O4 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCOCC2)=O)N(C1)C(CCc1ccc(cc1)OC)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.2005 |
| logD: | -0.3771 |
| logSw: | -2.3156 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.238 |
| InChI Key: | ADHIFRLFTKTHSY-CTDWIVFPSA-N |