rel-(3aR,7aR)-5-benzyl-2-(5-fluoro-2-methoxybenzene-1-sulfonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aR)-5-benzyl-2-(5-fluoro-2-methoxybenzene-1-sulfonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aR)-5-benzyl-2-(5-fluoro-2-methoxybenzene-1-sulfonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0303 |
| Compound Name: | rel-(3aR,7aR)-5-benzyl-2-(5-fluoro-2-methoxybenzene-1-sulfonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C21 H23 F N2 O4 S |
| Smiles: | [H][C@]12CC(N(Cc3ccccc3)C[C@]2([H])CN(C1)S(c1cc(ccc1OC)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.381 |
| logD: | 2.381 |
| logSw: | -2.894 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.371 |
| InChI Key: | QBFYUSHDGFDANW-DLBZAZTESA-N |