1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
Compound characteristics
| Compound ID: | S996-0304 |
| Compound Name: | 1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C20 H26 N4 O5 S |
| Smiles: | CS(N1C[C@H]2CCN(C[C@]2(C1)CO)C(CCc1nc(c2ccccc2)no1)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.233 |
| logD: | 1.233 |
| logSw: | -2.0665 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.187 |
| InChI Key: | QSFOSNXHAWQQPW-OXQOHEQNSA-N |