1-[rel-(3aR,7aS)-5-acetyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-5-acetyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(4-methoxyphenyl)ethan-1-one
1-[rel-(3aR,7aS)-5-acetyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S997-1322 |
| Compound Name: | 1-[rel-(3aR,7aS)-5-acetyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 346.43 |
| Molecular Formula: | C19 H26 N2 O4 |
| Smiles: | CC(N1CC[C@]2(CN(C[C@H]2C1)C(Cc1ccc(cc1)OC)=O)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7228 |
| logD: | 0.7228 |
| logSw: | -1.402 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.301 |
| InChI Key: | JFZXXNSTLDTWSR-VQIMIIECSA-N |