rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Compound characteristics
| Compound ID: | SB47-0878 |
| Compound Name: | rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C19 H25 N7 O2 |
| Smiles: | CC(C)NC(N1C[C@H]2CN(C[C@]2(C1)c1nc(C)n[nH]1)C(c1ccncc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.331 |
| logD: | 0.3283 |
| logSw: | -1.1152 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.944 |
| InChI Key: | HVYGHEFSGOWAON-BEFAXECRSA-N |