1-[rel-(3aR,7aR)-2-[(2,3-dihydro-1,4-benzodioxin-6-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-1,4-benzodioxin-6-yl)methyl]-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aR)-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-0305 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 346.43 |
| Molecular Formula: | C19 H26 N2 O4 |
| Smiles: | CC(N1CC[C@]2(CN(Cc3ccc4c(c3)OCCO4)C[C@H]2C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0065 |
| logD: | -5.2436 |
| logSw: | -1.4977 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.192 |
| InChI Key: | KPYWWNWSIRLABR-VQIMIIECSA-N |