rel-(3aR,6aR)-2-(2-ethylbutanoyl)-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-(2-ethylbutanoyl)-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-(2-ethylbutanoyl)-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0423 |
| Compound Name: | rel-(3aR,6aR)-2-(2-ethylbutanoyl)-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 386.49 |
| Molecular Formula: | C21 H30 N4 O3 |
| Smiles: | CCC(CC)C(N1C[C@@H]2CN(C[C@@]2(C1)C(N(C)C)=O)C(c1ccncc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4291 |
| logD: | 0.4268 |
| logSw: | -0.7907 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.43 |
| InChI Key: | GWRCBHHNPKFGMJ-UTKZUKDTSA-N |