3-{(2S,4S)-4-methoxy-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
3-{(2S,4S)-4-methoxy-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
3-{(2S,4S)-4-methoxy-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB29-0197 |
| Compound Name: | 3-{(2S,4S)-4-methoxy-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 338.41 |
| Molecular Formula: | C18 H22 N6 O |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2Cc2c[nH]nc2c2ccccc2)OC)n[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 1.7548 |
| logD: | 1.6072 |
| logSw: | -2.0252 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.775 |
| InChI Key: | QKEROKUTCLHEEQ-JKSUJKDBSA-N |