rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-(thiophene-2-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-(thiophene-2-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-(thiophene-2-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0925 |
| Compound Name: | rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-(thiophene-2-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | CN(C)C([C@@]12CN(C[C@H]2CN(C1)C(c1cccs1)=O)C(c1ccccc1)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.1764 |
| logD: | 1.1764 |
| logSw: | -2.0885 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.748 |
| InChI Key: | ACBMMMUSTPLXGU-HRAATJIYSA-N |