1-[rel-(3aR,7aS)-5-(3-hydroxypropanoyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-5-(3-hydroxypropanoyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methylpropan-1-one
1-[rel-(3aR,7aS)-5-(3-hydroxypropanoyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S839-0062 |
| Compound Name: | 1-[rel-(3aR,7aS)-5-(3-hydroxypropanoyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methylpropan-1-one |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C17 H26 N4 O4 |
| Smiles: | CC(C)C(N1C[C@@H]2CCN(C[C@@]2(C1)c1nc(C)no1)C(CCO)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.1964 |
| logD: | -0.1964 |
| logSw: | -0.1535 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.391 |
| InChI Key: | JIHTYLPBOMNUSW-SUMWQHHRSA-N |