4-[(1R,3aS,10aS,10bS)-2-(3,4-difluorobenzene-1-sulfonyl)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,10aS,10bS)-2-(3,4-difluorobenzene-1-sulfonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(morpholin-4-yl)butan-1-one
4-[(1R,3aS,10aS,10bS)-2-(3,4-difluorobenzene-1-sulfonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(morpholin-4-yl)butan-1-one
Compound characteristics
| Compound ID: | N106-0390 |
| Compound Name: | 4-[(1R,3aS,10aS,10bS)-2-(3,4-difluorobenzene-1-sulfonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(morpholin-4-yl)butan-1-one |
| Molecular Weight: | 511.63 |
| Molecular Formula: | C25 H35 F2 N3 O4 S |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCOCC2)=O)N(C1)S(c1ccc(c(c1)F)F)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0545 |
| logD: | 0.7283 |
| logSw: | -2.6298 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.062 |
| InChI Key: | UCPGFZDYWQYQIY-MMDZXOIJSA-N |