[rel-(3aR,7aS)-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-(propan-2-yl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aS)-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-(propan-2-yl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol
[rel-(3aR,7aS)-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-(propan-2-yl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol
Compound characteristics
| Compound ID: | S858-0667 |
| Compound Name: | [rel-(3aR,7aS)-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-(propan-2-yl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol |
| Molecular Weight: | 346.47 |
| Molecular Formula: | C20 H30 N2 O3 |
| Smiles: | CC(C)N1C[C@@H]2CCN(Cc3ccc4c(c3)OCCO4)C[C@@]2(C1)CO |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1487 |
| logD: | -3.9212 |
| logSw: | -1.8957 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.86 |
| InChI Key: | MJECBXKBKNRERC-YLJYHZDGSA-N |