rel-(3aR,6aR)-N,N-dimethyl-2-(pyridine-4-carbonyl)-5-(thiophene-2-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-N,N-dimethyl-2-(pyridine-4-carbonyl)-5-(thiophene-2-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-N,N-dimethyl-2-(pyridine-4-carbonyl)-5-(thiophene-2-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0422 |
| Compound Name: | rel-(3aR,6aR)-N,N-dimethyl-2-(pyridine-4-carbonyl)-5-(thiophene-2-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C20 H22 N4 O3 S |
| Smiles: | CN(C)C([C@@]12CN(C[C@H]2CN(C1)C(c1cccs1)=O)C(c1ccncc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.0325 |
| logD: | 0.0301 |
| logSw: | -1.3988 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.176 |
| InChI Key: | FOOLNVGJZKXKJD-MGPUTAFESA-N |