rel-(3aR,7aS)-5-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aS)-5-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aS)-5-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | S997-0724 |
| Compound Name: | rel-(3aR,7aS)-5-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C20 H32 N2 O5 S |
| Smiles: | CCOc1ccc(CN2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)COC)cc1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3631 |
| logD: | -0.7894 |
| logSw: | -2.3373 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.605 |
| InChI Key: | WASYPROKXAYHNY-YLJYHZDGSA-N |