1-[rel-(3aR,7aS)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aS)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1683 |
| Compound Name: | 1-[rel-(3aR,7aS)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 344.45 |
| Molecular Formula: | C20 H28 N2 O3 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)Cc1ccc2c(CCO2)c1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5814 |
| logD: | -0.8557 |
| logSw: | -1.9744 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.915 |
| InChI Key: | XRYOUPDSCUEHSW-UYAOXDASSA-N |