4-{(1R,3aS,10aR,10bS)-2-[(3-chloro-4-methoxyphenyl)acetyl]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-chloro-4-methoxyphenyl)acetyl]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-chloro-4-methoxyphenyl)acetyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-1-(morpholin-4-yl)butan-1-one
Compound characteristics
| Compound ID: | N106-0449 |
| Compound Name: | 4-{(1R,3aS,10aR,10bS)-2-[(3-chloro-4-methoxyphenyl)acetyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-1-(morpholin-4-yl)butan-1-one |
| Molecular Weight: | 518.1 |
| Molecular Formula: | C28 H40 Cl N3 O4 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCOCC2)=O)N(C1)C(Cc1ccc(c(c1)[Cl])OC)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.1836 |
| logD: | -0.394 |
| logSw: | -2.9568 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.325 |
| InChI Key: | XCMWPQZWBYKFIM-XABBOIKWSA-N |