2-methoxy-N-[rel-(3R,4S)-1-(6-methoxypyridine-3-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-(6-methoxypyridine-3-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
2-methoxy-N-[rel-(3R,4S)-1-(6-methoxypyridine-3-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-1398 |
| Compound Name: | 2-methoxy-N-[rel-(3R,4S)-1-(6-methoxypyridine-3-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 436.47 |
| Molecular Formula: | C22 H24 N6 O4 |
| Smiles: | COCC(N[C@@H]1CN(C[C@H]1c1nc(c2ccccc2)n[nH]1)C(c1ccc(nc1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1866 |
| logD: | 1.1822 |
| logSw: | -2.0088 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.033 |
| InChI Key: | BEMDHMCHGZXXDA-IAGOWNOFSA-N |