2-methoxy-N-[rel-(3R,4S)-1-(2-methylpyridine-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-(2-methylpyridine-3-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
2-methoxy-N-[rel-(3R,4S)-1-(2-methylpyridine-3-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-0503 |
| Compound Name: | 2-methoxy-N-[rel-(3R,4S)-1-(2-methylpyridine-3-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 420.47 |
| Molecular Formula: | C22 H24 N6 O3 |
| Smiles: | Cc1c(cccn1)C(N1C[C@H]([C@@H](C1)c1nc(c2ccccc2)n[nH]1)NC(COC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0594 |
| logD: | 1.0547 |
| logSw: | -2.2539 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.076 |
| InChI Key: | CDARKQIPQPIJOE-QZTJIDSGSA-N |