1-[rel-(3aR,7aS)-5-[(3-ethoxyphenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-5-[(3-ethoxyphenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aS)-5-[(3-ethoxyphenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S858-0853 |
| Compound Name: | 1-[rel-(3aR,7aS)-5-[(3-ethoxyphenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 332.44 |
| Molecular Formula: | C19 H28 N2 O3 |
| Smiles: | CCOc1cccc(CN2CC[C@H]3CN(C[C@]3(C2)CO)C(C)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4901 |
| logD: | -1.7849 |
| logSw: | -1.7344 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.492 |
| InChI Key: | WWLWAFHVCKNODW-IEBWSBKVSA-N |