1-[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(thiophen-2-yl)ethan-1-one
1-[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | S988-0122 |
| Compound Name: | 1-[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C20 H26 N4 O3 S |
| Smiles: | Cc1nc([C@]23CN(C[C@@H]3CN(C2)C(Cc2cccs2)=O)C2CCOCC2)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3599 |
| logD: | -4.4538 |
| logSw: | -2.1164 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.056 |
| InChI Key: | UAPSOOJJRGGDCA-QRWLVFNGSA-N |