4-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-(2-phenylcyclopropyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-(2-phenylcyclopropyl)-4H-1,2,4-triazole-3-thiol
4-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-(2-phenylcyclopropyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5716 |
| Compound Name: | 4-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-(2-phenylcyclopropyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C21 H18 F N5 S |
| Smiles: | C1C(C1c1nnc(n1c1ccn(Cc2ccccc2F)n1)S)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1949 |
| logD: | 3.1351 |
| logSw: | -4.3946 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.562 |
| InChI Key: | GTYMQZUNHKSQNB-UHFFFAOYSA-N |