1-[rel-(3aR,7aR)-2-(2-hydroxyethyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-2-(2-hydroxyethyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-methylpropan-1-one
1-[rel-(3aR,7aR)-2-(2-hydroxyethyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S839-0033 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-(2-hydroxyethyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-methylpropan-1-one |
| Molecular Weight: | 322.41 |
| Molecular Formula: | C16 H26 N4 O3 |
| Smiles: | CC(C)C(N1CC[C@H]2CN(CCO)C[C@]2(C1)c1nc(C)no1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.634 |
| logD: | -2.4254 |
| logSw: | -0.5182 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.981 |
| InChI Key: | CNSYVIMTQQKTFO-BBRMVZONSA-N |