1-(morpholin-4-yl)-4-{(1R,3aS,10aR,10bS)-2-[4-(trifluoromethyl)benzoyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butan-1-one
Chemical Structure Depiction of
1-(morpholin-4-yl)-4-{(1R,3aS,10aR,10bS)-2-[4-(trifluoromethyl)benzoyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butan-1-one
1-(morpholin-4-yl)-4-{(1R,3aS,10aR,10bS)-2-[4-(trifluoromethyl)benzoyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | N106-0349 |
| Compound Name: | 1-(morpholin-4-yl)-4-{(1R,3aS,10aR,10bS)-2-[4-(trifluoromethyl)benzoyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butan-1-one |
| Molecular Weight: | 507.6 |
| Molecular Formula: | C27 H36 F3 N3 O3 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCOCC2)=O)N(C1)C(c1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.5748 |
| logD: | 0.1131 |
| logSw: | -2.668 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.222 |
| InChI Key: | RQHLPVNEFKBQFR-HBAHCVPVSA-N |