1-[rel-(3aR,7aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-1-one
1-[rel-(3aR,7aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-1-one
Compound characteristics
| Compound ID: | S839-0090 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-hydroxypropan-1-one |
| Molecular Weight: | 370.45 |
| Molecular Formula: | C20 H26 N4 O3 |
| Smiles: | Cc1nc([C@]23CN(Cc4ccccc4)C[C@@H]3CCN(C2)C(CCO)=O)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.725 |
| logD: | -2.1266 |
| logSw: | -1.3146 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.204 |
| InChI Key: | NQFVKHZQLAWBMG-PXNSSMCTSA-N |