1-[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(morpholin-4-yl)ethan-1-one
1-[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | S988-0971 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 425.49 |
| Molecular Formula: | C22 H27 N5 O4 |
| Smiles: | Cc1nc([C@@]23CN(C[C@H]3CN(C2)C(c2ccccc2)=O)C(CN2CCOCC2)=O)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.0724 |
| logD: | -0.2414 |
| logSw: | -1.4054 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.405 |
| InChI Key: | XFFJBHOQEATOHH-GCJKJVERSA-N |