rel-(3aR,9bS)-5-methyl-3a-(morpholine-4-carbonyl)-2-{[3-(trifluoromethyl)phenyl]acetyl}-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c]quinolin-4-one
Chemical Structure Depiction of
rel-(3aR,9bS)-5-methyl-3a-(morpholine-4-carbonyl)-2-{[3-(trifluoromethyl)phenyl]acetyl}-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c]quinolin-4-one
rel-(3aR,9bS)-5-methyl-3a-(morpholine-4-carbonyl)-2-{[3-(trifluoromethyl)phenyl]acetyl}-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c]quinolin-4-one
Compound characteristics
| Compound ID: | SB98-0012 |
| Compound Name: | rel-(3aR,9bS)-5-methyl-3a-(morpholine-4-carbonyl)-2-{[3-(trifluoromethyl)phenyl]acetyl}-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c]quinolin-4-one |
| Molecular Weight: | 501.51 |
| Molecular Formula: | C26 H26 F3 N3 O4 |
| Smiles: | [H][C@]12CN(C[C@]2(C(N2CCOCC2)=O)C(N(C)c2ccccc12)=O)C(Cc1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.521 |
| logD: | 2.521 |
| logSw: | -2.8527 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.017 |
| InChI Key: | DFTSVEMOHOKKKB-CJFMBICVSA-N |