1-[rel-(3aR,7aS)-5-acetyl-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(3-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-5-acetyl-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(3-methylphenoxy)ethan-1-one
1-[rel-(3aR,7aS)-5-acetyl-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S996-0875 |
| Compound Name: | 1-[rel-(3aR,7aS)-5-acetyl-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 360.45 |
| Molecular Formula: | C20 H28 N2 O4 |
| Smiles: | CC(N1CC[C@@H]2CN(C[C@@]2(C1)COC)C(COc1cccc(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3696 |
| logD: | 1.3696 |
| logSw: | -1.8415 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.565 |
| InChI Key: | YYOSGPIRNIQWJB-YLJYHZDGSA-N |