rel-(3aR,9bS)-2-(methanesulfonyl)-5-methyl-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)-2-(methanesulfonyl)-5-methyl-3a-(morpholine-4-carbonyl)-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c]quinolin-4-one
rel-(3aR,9bS)-2-(methanesulfonyl)-5-methyl-3a-(morpholine-4-carbonyl)-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c]quinolin-4-one
Compound characteristics
| Compound ID: | SB98-0004 |
| Compound Name: | rel-(3aR,9bS)-2-(methanesulfonyl)-5-methyl-3a-(morpholine-4-carbonyl)-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c]quinolin-4-one |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C18 H23 N3 O5 S |
| Smiles: | [H][C@]12CN(C[C@]2(C(N2CCOCC2)=O)C(N(C)c2ccccc12)=O)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0176 |
| logD: | -0.0176 |
| logSw: | -2.0195 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.371 |
| InChI Key: | BQFWRICTBNGERK-RDTXWAMCSA-N |