1-[rel-(3aR,7aR)-5-(4-ethoxybenzene-1-sulfonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-5-(4-ethoxybenzene-1-sulfonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-5-(4-ethoxybenzene-1-sulfonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1719 |
| Compound Name: | 1-[rel-(3aR,7aR)-5-(4-ethoxybenzene-1-sulfonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 396.5 |
| Molecular Formula: | C19 H28 N2 O5 S |
| Smiles: | CCOc1ccc(cc1)S(N1CC[C@]2(CN(C[C@H]2C1)C(C)=O)COC)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6703 |
| logD: | 1.6703 |
| logSw: | -2.5843 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.779 |
| InChI Key: | ZBDOOFSKZAEGJQ-VQIMIIECSA-N |