4-[(1R,3aS,10aS,10bS)-2-(4-methylbenzene-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-(4-methylbenzene-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-(4-methylbenzene-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: | N106-0603 |
| Compound Name: | 4-[(1R,3aS,10aS,10bS)-2-(4-methylbenzene-1-sulfonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(morpholin-4-yl)butan-1-one |
| Molecular Weight: | 489.68 |
| Molecular Formula: | C26 H39 N3 O4 S |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCOCC2)=O)N(C1)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.1148 |
| logD: | 0.7886 |
| logSw: | -2.5974 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.062 |
| InChI Key: | BTGUEQPDDMCJHL-IGGXFAESSA-N |