rel-(3aR,9bS)-N-(2-methoxyethyl)-5-methyl-3a-(morpholine-4-carbonyl)-4-oxo-1,3,3a,4,5,9b-hexahydro-2H-pyrrolo[3,4-c]quinoline-2-carboxamide
Chemical Structure Depiction of
rel-(3aR,9bS)-N-(2-methoxyethyl)-5-methyl-3a-(morpholine-4-carbonyl)-4-oxo-1,3,3a,4,5,9b-hexahydro-2H-pyrrolo[3,4-c]quinoline-2-carboxamide
rel-(3aR,9bS)-N-(2-methoxyethyl)-5-methyl-3a-(morpholine-4-carbonyl)-4-oxo-1,3,3a,4,5,9b-hexahydro-2H-pyrrolo[3,4-c]quinoline-2-carboxamide
Compound characteristics
| Compound ID: | SB98-0003 |
| Compound Name: | rel-(3aR,9bS)-N-(2-methoxyethyl)-5-methyl-3a-(morpholine-4-carbonyl)-4-oxo-1,3,3a,4,5,9b-hexahydro-2H-pyrrolo[3,4-c]quinoline-2-carboxamide |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C21 H28 N4 O5 |
| Smiles: | [H][C@]12CN(C[C@]2(C(N2CCOCC2)=O)C(N(C)c2ccccc12)=O)C(NCCOC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4092 |
| logD: | 0.4092 |
| logSw: | -1.8929 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.143 |
| InChI Key: | HFLKEJAJJFUUDZ-IIBYNOLFSA-N |