1-[rel-(3aR,6aR)-5-acetyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(4-ethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-acetyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(4-ethoxyphenyl)ethan-1-one
1-[rel-(3aR,6aR)-5-acetyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(4-ethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S984-1105 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-acetyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(4-ethoxyphenyl)ethan-1-one |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C23 H31 N3 O4 |
| Smiles: | CCOc1ccc(CC(N2C[C@@H]3CN(C[C@@]3(C2)C(N2CCCC2)=O)C(C)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6541 |
| logD: | 1.6541 |
| logSw: | -2.0197 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.079 |
| InChI Key: | PUOJICBQHMQXMO-CVDCTZTESA-N |