[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-methylthiophen-2-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-methylthiophen-2-yl)methanone
[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S988-0918 |
| Compound Name: | [rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-methylthiophen-2-yl)methanone |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | Cc1ccsc1C(N1C[C@H]2CN(C[C@]2(C1)c1nc(C)no1)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5602 |
| logD: | 2.5602 |
| logSw: | -2.5626 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.038 |
| InChI Key: | IKRDDJHWSRQISZ-HTAPYJJXSA-N |