N-[rel-(3R,4S)-1-(2,5-dimethylfuran-3-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(2,5-dimethylfuran-3-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
N-[rel-(3R,4S)-1-(2,5-dimethylfuran-3-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
Compound characteristics
| Compound ID: | SB33-0524 |
| Compound Name: | N-[rel-(3R,4S)-1-(2,5-dimethylfuran-3-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C22 H25 N5 O4 |
| Smiles: | Cc1cc(C(N2C[C@H]([C@@H](C2)c2nc(c3ccccc3)n[nH]2)NC(COC)=O)=O)c(C)o1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.726 |
| logD: | 1.7217 |
| logSw: | -2.726 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.198 |
| InChI Key: | VJDHHILMELBGSJ-QZTJIDSGSA-N |