4-(4-chlorophenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(4-chlorophenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
4-(4-chlorophenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8015-6580 |
| Compound Name: | 4-(4-chlorophenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 277.73 |
| Molecular Formula: | C11 H8 Cl N5 S |
| Smiles: | c1cc(ccc1n1c(c2ccn[nH]2)nnc1S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.2585 |
| logD: | 1.3676 |
| logSw: | -2.966 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.059 |
| InChI Key: | WAYDTJDRVWHBQL-UHFFFAOYSA-N |