rel-(3aR,7aR)-5-benzyl-2-(cyclohexanecarbonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aR)-5-benzyl-2-(cyclohexanecarbonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aR)-5-benzyl-2-(cyclohexanecarbonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0400 |
| Compound Name: | rel-(3aR,7aR)-5-benzyl-2-(cyclohexanecarbonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 340.46 |
| Molecular Formula: | C21 H28 N2 O2 |
| Smiles: | [H][C@]12CC(N(Cc3ccccc3)C[C@]2([H])CN(C1)C(C1CCCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.888 |
| logD: | 2.888 |
| logSw: | -2.9876 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.87 |
| InChI Key: | ZGKVKPPNXOZUNR-MOPGFXCFSA-N |