3-(benzenesulfonyl)-1-[rel-(3aR,6aR)-5-methyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Chemical Structure Depiction of
3-(benzenesulfonyl)-1-[rel-(3aR,6aR)-5-methyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
3-(benzenesulfonyl)-1-[rel-(3aR,6aR)-5-methyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Compound characteristics
| Compound ID: | S985-0006 |
| Compound Name: | 3-(benzenesulfonyl)-1-[rel-(3aR,6aR)-5-methyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C21 H29 N3 O4 S |
| Smiles: | CN1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(CCS(c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.444 |
| logD: | -5.2297 |
| logSw: | -2.0314 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.273 |
| InChI Key: | GAAQGXFIRNBSTE-UTKZUKDTSA-N |