rel-(3aR,6aR)-N,N-dimethyl-2-(5-methylthiophene-2-carbonyl)-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-N,N-dimethyl-2-(5-methylthiophene-2-carbonyl)-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-N,N-dimethyl-2-(5-methylthiophene-2-carbonyl)-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0436 |
| Compound Name: | rel-(3aR,6aR)-N,N-dimethyl-2-(5-methylthiophene-2-carbonyl)-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | Cc1ccc(C(N2C[C@@H]3CN(C[C@@]3(C2)C(N(C)C)=O)C(c2ccncc2)=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6683 |
| logD: | 0.6659 |
| logSw: | -1.4523 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.176 |
| InChI Key: | PIQKCIXBDSPMGF-HRAATJIYSA-N |