rel-(3aR,6aR)-5-(1-ethyl-1H-pyrazole-3-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-(1-ethyl-1H-pyrazole-3-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-(1-ethyl-1H-pyrazole-3-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: | SB47-0897 |
| Compound Name: | rel-(3aR,6aR)-5-(1-ethyl-1H-pyrazole-3-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: | 400.48 |
| Molecular Formula: | C19 H28 N8 O2 |
| Smiles: | CCn1ccc(C(N2C[C@@H]3CN(C[C@@]3(C2)c2nc(C)n[nH]2)C(NC(C)C)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5148 |
| logD: | 0.5144 |
| logSw: | -1.8973 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.901 |
| InChI Key: | CCQIRUBSUSSZIH-KUHUBIRLSA-N |