rel-(3aR,7aR)-2-(4-methoxy-2-methylbenzoyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aR)-2-(4-methoxy-2-methylbenzoyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aR)-2-(4-methoxy-2-methylbenzoyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0582 |
| Compound Name: | rel-(3aR,7aR)-2-(4-methoxy-2-methylbenzoyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 288.34 |
| Molecular Formula: | C16 H20 N2 O3 |
| Smiles: | [H][C@]12CC(NC[C@]2([H])CN(C1)C(c1ccc(cc1C)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.891 |
| logD: | 0.891 |
| logSw: | -2.2871 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.539 |
| InChI Key: | QDJFCJYVZNPOAM-NEPJUHHUSA-N |