1-[rel-(3aR,6aR)-3a-(pyrrolidine-1-carbonyl)-5-[(thiophen-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-3a-(pyrrolidine-1-carbonyl)-5-[(thiophen-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
1-[rel-(3aR,6aR)-3a-(pyrrolidine-1-carbonyl)-5-[(thiophen-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S985-0333 |
| Compound Name: | 1-[rel-(3aR,6aR)-3a-(pyrrolidine-1-carbonyl)-5-[(thiophen-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 347.48 |
| Molecular Formula: | C18 H25 N3 O2 S |
| Smiles: | CC(N1C[C@H]2CN(Cc3ccsc3)C[C@]2(C1)C(N1CCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2404 |
| logD: | -4.352 |
| logSw: | -2.1209 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.585 |
| InChI Key: | QIZDRYOYHZYWPZ-AEFFLSMTSA-N |