rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-[(thiophen-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-[(thiophen-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-[(thiophen-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0936 |
| Compound Name: | rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-[(thiophen-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C21 H25 N3 O2 S |
| Smiles: | CN(C)C([C@]12CN(Cc3ccsc3)C[C@@H]2CN(C1)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.306 |
| logD: | -3.9993 |
| logSw: | -2.0697 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.832 |
| InChI Key: | BMICOKXKHQYUPE-NQIIRXRSSA-N |