rel-(3aR,6aR)-5-(5-fluoropyridine-2-carbonyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-5-(5-fluoropyridine-2-carbonyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
rel-(3aR,6aR)-5-(5-fluoropyridine-2-carbonyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Compound characteristics
| Compound ID: | SB47-0933 |
| Compound Name: | rel-(3aR,6aR)-5-(5-fluoropyridine-2-carbonyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide |
| Molecular Weight: | 401.44 |
| Molecular Formula: | C19 H24 F N7 O2 |
| Smiles: | CC(C)NC(N1C[C@H]2CN(C[C@]2(C1)c1nc(C)n[nH]1)C(c1ccc(cn1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2375 |
| logD: | 1.2371 |
| logSw: | -1.9595 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.653 |
| InChI Key: | XOQMEKGEPORNFA-YJYMSZOUSA-N |