rel-(3aR,6aS)-5-benzyl-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
Chemical Structure Depiction of
rel-(3aR,6aS)-5-benzyl-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
rel-(3aR,6aS)-5-benzyl-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
Compound characteristics
| Compound ID: | S805-0009 |
| Compound Name: | rel-(3aR,6aS)-5-benzyl-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C23 H25 N3 O3 S |
| Smiles: | C1CN(CCC1N1C([C@@H]2CN(Cc3ccccc3)C[C@@H]2C1=O)=O)C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9925 |
| logD: | 0.4427 |
| logSw: | -2.5686 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.153 |
| InChI Key: | BCKQWYLSWDJJOP-KDURUIRLSA-N |