rel-(3aR,6aS)-5-(4-propylbenzene-1-sulfonyl)-2-[1-(thiophen-2-yl)propyl]tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
Chemical Structure Depiction of
rel-(3aR,6aS)-5-(4-propylbenzene-1-sulfonyl)-2-[1-(thiophen-2-yl)propyl]tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
rel-(3aR,6aS)-5-(4-propylbenzene-1-sulfonyl)-2-[1-(thiophen-2-yl)propyl]tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
Compound characteristics
| Compound ID: | S296-4795 |
| Compound Name: | rel-(3aR,6aS)-5-(4-propylbenzene-1-sulfonyl)-2-[1-(thiophen-2-yl)propyl]tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione |
| Molecular Weight: | 446.59 |
| Molecular Formula: | C22 H26 N2 O4 S2 |
| Smiles: | CCCc1ccc(cc1)S(N1C[C@H]2C(N(C(CC)c3cccs3)C([C@H]2C1)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.679 |
| logD: | 3.679 |
| logSw: | -3.9587 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.379 |
| InChI Key: | AUXVRAPKSUVLDB-DFNIBXOVSA-N |