1-[rel-(3aR,6aR)-5-acetyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(4-methoxyphenyl)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-methoxyphenyl)ethan-1-one
1-[rel-(3aR,6aR)-5-acetyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S985-0315 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-acetyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C22 H29 N3 O4 |
| Smiles: | CC(N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(Cc1ccc(cc1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2675 |
| logD: | 1.2675 |
| logSw: | -1.7843 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.499 |
| InChI Key: | SKOSGBBQJVMIJM-AVRDEDQJSA-N |