1-[rel-(3aR,6aR)-5-acetyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-4-phenylbutan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-acetyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-4-phenylbutan-1-one
1-[rel-(3aR,6aR)-5-acetyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | S985-0342 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-acetyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-4-phenylbutan-1-one |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C23 H31 N3 O3 |
| Smiles: | CC(N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(CCCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1749 |
| logD: | 2.1749 |
| logSw: | -2.2772 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.956 |
| InChI Key: | NLYVTZPAHAXPAM-REWPJTCUSA-N |