rel-(3aR,6aR)-N,N-dimethyl-2-(pentan-3-yl)-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-N,N-dimethyl-2-(pentan-3-yl)-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-N,N-dimethyl-2-(pentan-3-yl)-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0513 |
| Compound Name: | rel-(3aR,6aR)-N,N-dimethyl-2-(pentan-3-yl)-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C20 H30 N4 O2 |
| Smiles: | CCC(CC)N1C[C@@H]2CN(C[C@@]2(C1)C(N(C)C)=O)C(c1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5297 |
| logD: | -5.4105 |
| logSw: | -0.8452 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.735 |
| InChI Key: | RIALIGIZZAMJPM-UZLBHIALSA-N |