1-[rel-(3aR,6aR)-5-(phenylmethanesulfonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-(phenylmethanesulfonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
1-[rel-(3aR,6aR)-5-(phenylmethanesulfonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S985-0310 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-(phenylmethanesulfonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 405.51 |
| Molecular Formula: | C20 H27 N3 O4 S |
| Smiles: | CC(N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)S(Cc1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8332 |
| logD: | 0.8332 |
| logSw: | -1.9638 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.44 |
| InChI Key: | ITHIBDXDKOEJOX-QUCCMNQESA-N |