rel-(3aR,7aR)-2-(2,5-dimethoxybenzene-1-sulfonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aR)-2-(2,5-dimethoxybenzene-1-sulfonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aR)-2-(2,5-dimethoxybenzene-1-sulfonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0589 |
| Compound Name: | rel-(3aR,7aR)-2-(2,5-dimethoxybenzene-1-sulfonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C15 H20 N2 O5 S |
| Smiles: | [H][C@]12CC(NC[C@]2([H])CN(C1)S(c1cc(ccc1OC)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3819 |
| logD: | 0.3819 |
| logSw: | -2.462 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.232 |
| InChI Key: | DGQNETIQKPMJRS-MNOVXSKESA-N |