1-[rel-(3aR,7aS)-5-[(2,4-dimethoxyphenyl)methyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-5-[(2,4-dimethoxyphenyl)methyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aS)-5-[(2,4-dimethoxyphenyl)methyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-0831 |
| Compound Name: | 1-[rel-(3aR,7aS)-5-[(2,4-dimethoxyphenyl)methyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 362.47 |
| Molecular Formula: | C20 H30 N2 O4 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)Cc1ccc(cc1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6874 |
| logD: | 0.2396 |
| logSw: | -2.1252 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.852 |
| InChI Key: | SFFPJPKBCHGLKE-YLJYHZDGSA-N |