1-[rel-(3aR,7aR)-2-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-2-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aR)-2-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-0343 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 330.43 |
| Molecular Formula: | C19 H26 N2 O3 |
| Smiles: | CC(N1CC[C@]2(CN(Cc3ccc4c(CCO4)c3)C[C@H]2C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9813 |
| logD: | -3.8371 |
| logSw: | -1.8851 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.606 |
| InChI Key: | FVHBLASDCNTEEO-IEBWSBKVSA-N |