1-[rel-(3aR,6aR)-5-[4-(propan-2-yl)benzene-1-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-[4-(propan-2-yl)benzene-1-sulfonyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
1-[rel-(3aR,6aR)-5-[4-(propan-2-yl)benzene-1-sulfonyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S984-1117 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-[4-(propan-2-yl)benzene-1-sulfonyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 433.57 |
| Molecular Formula: | C22 H31 N3 O4 S |
| Smiles: | CC(C)c1ccc(cc1)S(N1C[C@@H]2CN(C[C@@]2(C1)C(N1CCCC1)=O)C(C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5543 |
| logD: | 2.5543 |
| logSw: | -2.6608 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.546 |
| InChI Key: | HROVZPHPBLQOSH-KNQAVFIVSA-N |