rel-(3aR,7aR)-5-benzyl-2-(ethanesulfonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aR)-5-benzyl-2-(ethanesulfonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aR)-5-benzyl-2-(ethanesulfonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0328 |
| Compound Name: | rel-(3aR,7aR)-5-benzyl-2-(ethanesulfonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 322.42 |
| Molecular Formula: | C16 H22 N2 O3 S |
| Smiles: | [H][C@]12CC(N(Cc3ccccc3)C[C@]2([H])CN(C1)S(CC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1775 |
| logD: | 1.1775 |
| logSw: | -2.1531 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.906 |
| InChI Key: | DYBCGVWZRJQQMX-CABCVRRESA-N |