1-[rel-(3aR,7aR)-2-acetyl-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(2-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-2-acetyl-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(2-methylphenyl)ethan-1-one
1-[rel-(3aR,7aR)-2-acetyl-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(2-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S997-1694 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-acetyl-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(2-methylphenyl)ethan-1-one |
| Molecular Weight: | 344.45 |
| Molecular Formula: | C20 H28 N2 O3 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)C(Cc1ccccc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0378 |
| logD: | 2.0378 |
| logSw: | -2.0986 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.066 |
| InChI Key: | HWBJOVSSOBANHF-AZUAARDMSA-N |