2-methoxy-N-[rel-(3R,4S)-1-(3-methyl-1H-pyrazole-5-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
2-methoxy-N-[rel-(3R,4S)-1-(3-methyl-1H-pyrazole-5-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
2-methoxy-N-[rel-(3R,4S)-1-(3-methyl-1H-pyrazole-5-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-1427 |
| Compound Name: | 2-methoxy-N-[rel-(3R,4S)-1-(3-methyl-1H-pyrazole-5-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 409.45 |
| Molecular Formula: | C20 H23 N7 O3 |
| Smiles: | Cc1cc(C(N2C[C@H]([C@@H](C2)c2nc(c3ccccc3)n[nH]2)NC(COC)=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8419 |
| logD: | 0.8375 |
| logSw: | -2.2165 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.019 |
| InChI Key: | YCRUXLOUORWQJZ-GDBMZVCRSA-N |