rel-(3aR,6aR)-N,N-dimethyl-2-(3-methylthiophene-2-carbonyl)-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-N,N-dimethyl-2-(3-methylthiophene-2-carbonyl)-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-N,N-dimethyl-2-(3-methylthiophene-2-carbonyl)-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0322 |
| Compound Name: | rel-(3aR,6aR)-N,N-dimethyl-2-(3-methylthiophene-2-carbonyl)-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 398.53 |
| Molecular Formula: | C21 H26 N4 O2 S |
| Smiles: | Cc1ccsc1C(N1C[C@@H]2CN(Cc3cccnc3)C[C@@]2(C1)C(N(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8873 |
| logD: | -2.8695 |
| logSw: | -1.1736 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.35 |
| InChI Key: | WKCBHLQSKZINMX-UTKZUKDTSA-N |