[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](2,4-dimethyl-1,3-thiazol-5-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](2,4-dimethyl-1,3-thiazol-5-yl)methanone
[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](2,4-dimethyl-1,3-thiazol-5-yl)methanone
Compound characteristics
| Compound ID: | S988-0939 |
| Compound Name: | [rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](2,4-dimethyl-1,3-thiazol-5-yl)methanone |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C22 H23 N5 O3 S |
| Smiles: | Cc1c(C(N2C[C@H]3CN(C[C@]3(C2)c2nc(C)no2)C(c2ccccc2)=O)=O)sc(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0824 |
| logD: | 2.0824 |
| logSw: | -2.4755 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.408 |
| InChI Key: | HMZQDXFMXVWJKP-HTAPYJJXSA-N |