1-[rel-(3aR,6aR)-5-methyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-methyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(thiophen-2-yl)ethan-1-one
1-[rel-(3aR,6aR)-5-methyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | S985-0017 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-methyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 347.48 |
| Molecular Formula: | C18 H25 N3 O2 S |
| Smiles: | CN1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(Cc1cccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1182 |
| logD: | -4.5556 |
| logSw: | -2.1233 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.255 |
| InChI Key: | WCABRLRCQBXAQW-KDOFPFPSSA-N |