3-methyl-6-[(1R,3aS,10aS,10bS)-1-[4-(morpholin-4-yl)-4-oxobutyl]octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-sulfonyl]-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-methyl-6-[(1R,3aS,10aS,10bS)-1-[4-(morpholin-4-yl)-4-oxobutyl]octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-sulfonyl]-1,3-benzoxazol-2(3H)-one
3-methyl-6-[(1R,3aS,10aS,10bS)-1-[4-(morpholin-4-yl)-4-oxobutyl]octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-sulfonyl]-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | N106-0460 |
| Compound Name: | 3-methyl-6-[(1R,3aS,10aS,10bS)-1-[4-(morpholin-4-yl)-4-oxobutyl]octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-sulfonyl]-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 546.69 |
| Molecular Formula: | C27 H38 N4 O6 S |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCOCC2)=O)N(C1)S(c1ccc2c(c1)OC(N2C)=O)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.0253 |
| logD: | -0.3009 |
| logSw: | -2.4493 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 81.927 |
| InChI Key: | VUISBAGQXZEQKL-RKCWLVDCSA-N |