1-[rel-(3aR,6aR)-5-(5-chlorothiophene-2-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-(5-chlorothiophene-2-sulfonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
1-[rel-(3aR,6aR)-5-(5-chlorothiophene-2-sulfonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S984-1061 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-(5-chlorothiophene-2-sulfonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 431.96 |
| Molecular Formula: | C17 H22 Cl N3 O4 S2 |
| Smiles: | CC(N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)S(c1ccc(s1)[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5978 |
| logD: | 1.5978 |
| logSw: | -2.682 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.564 |
| InChI Key: | MLWJPCSWSJSUDG-DYVFJYSZSA-N |