rel-(3aR,7aR)-2-benzyl-5-(4-fluorobenzene-1-sulfonyl)-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aR)-2-benzyl-5-(4-fluorobenzene-1-sulfonyl)-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aR)-2-benzyl-5-(4-fluorobenzene-1-sulfonyl)-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | SC53-0659 |
| Compound Name: | rel-(3aR,7aR)-2-benzyl-5-(4-fluorobenzene-1-sulfonyl)-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C23 H25 F N4 O3 S |
| Smiles: | Cc1nc([C@]23CN(Cc4ccccc4)C[C@@H]3CCN(C2)S(c2ccc(cc2)F)(=O)=O)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4929 |
| logD: | 1.258 |
| logSw: | -3.541 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.482 |
| InChI Key: | ADZUWDLBMHSXFY-CVDCTZTESA-N |