4-[(1R,3aS,10aS,10bS)-2-(2,5-dimethoxybenzene-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-(2,5-dimethoxybenzene-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-(2,5-dimethoxybenzene-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: | N106-0400 |
| Compound Name: | 4-[(1R,3aS,10aS,10bS)-2-(2,5-dimethoxybenzene-1-sulfonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(morpholin-4-yl)butan-1-one |
| Molecular Weight: | 535.7 |
| Molecular Formula: | C27 H41 N3 O6 S |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCOCC2)=O)N(C1)S(c1cc(ccc1OC)OC)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.544 |
| logD: | 0.2178 |
| logSw: | -2.3831 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 74.236 |
| InChI Key: | KLMYVCSJEAPNDS-TXJANDSUSA-N |