5-(4-chloro-1-ethyl-1H-pyrazol-5-yl)-4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-chloro-1-ethyl-1H-pyrazol-5-yl)-4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-4H-1,2,4-triazole-3-thiol
5-(4-chloro-1-ethyl-1H-pyrazol-5-yl)-4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8757 |
| Compound Name: | 5-(4-chloro-1-ethyl-1H-pyrazol-5-yl)-4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 438.31 |
| Molecular Formula: | C17 H14 Cl2 F N7 S |
| Smiles: | CCn1c(c(cn1)[Cl])c1nnc(n1c1ccn(Cc2c(cccc2[Cl])F)n1)S |
| Stereo: | ACHIRAL |
| logP: | 3.238 |
| logD: | 2.8834 |
| logSw: | -3.5383 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.264 |
| InChI Key: | XLNXQYQWVVHNPS-UHFFFAOYSA-N |