1-[rel-(3aR,6aR)-5-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
1-[rel-(3aR,6aR)-5-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S984-1130 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C18 H26 N4 O5 S |
| Smiles: | CC(N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)S(c1c(C)noc1C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0749 |
| logD: | -0.0749 |
| logSw: | -1.1993 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.584 |
| InChI Key: | DQJCKIYUIODRTC-QAPCUYQASA-N |