2-methyl-1-[rel-(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]propan-1-one
Chemical Structure Depiction of
2-methyl-1-[rel-(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]propan-1-one
2-methyl-1-[rel-(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]propan-1-one
Compound characteristics
| Compound ID: | S839-0019 |
| Compound Name: | 2-methyl-1-[rel-(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]propan-1-one |
| Molecular Weight: | 334.46 |
| Molecular Formula: | C18 H30 N4 O2 |
| Smiles: | CC(C)CN1C[C@@H]2CCN(C[C@@]2(C1)c1nc(C)no1)C(C(C)C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3581 |
| logD: | -1.6715 |
| logSw: | -2.0502 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.347 |
| InChI Key: | YHWHYIBAVASAAQ-YJBOKZPZSA-N |