rel-(3aR,9bS)-5-methyl-2-(4-methylbenzene-1-sulfonyl)-3a-(morpholine-4-carbonyl)-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c]quinolin-4-one
Chemical Structure Depiction of
rel-(3aR,9bS)-5-methyl-2-(4-methylbenzene-1-sulfonyl)-3a-(morpholine-4-carbonyl)-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c]quinolin-4-one
rel-(3aR,9bS)-5-methyl-2-(4-methylbenzene-1-sulfonyl)-3a-(morpholine-4-carbonyl)-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c]quinolin-4-one
Compound characteristics
| Compound ID: | SB98-0005 |
| Compound Name: | rel-(3aR,9bS)-5-methyl-2-(4-methylbenzene-1-sulfonyl)-3a-(morpholine-4-carbonyl)-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c]quinolin-4-one |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C24 H27 N3 O5 S |
| Smiles: | [H][C@]12CN(C[C@]2(C(N2CCOCC2)=O)C(N(C)c2ccccc12)=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.073 |
| logD: | 2.073 |
| logSw: | -2.6552 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.607 |
| InChI Key: | DAQZFMNNZSBTDT-HYBUGGRVSA-N |