4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8013-1138 |
| Compound Name: | 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 383.86 |
| Molecular Formula: | C18 H14 Cl N5 O S |
| Smiles: | COc1ccc(cc1)c1cc(C2=NNC(N2c2ccccc2[Cl])=S)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 4.6646 |
| logD: | 1.7427 |
| logSw: | -4.979 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.706 |
| InChI Key: | TXPTZEQXDROLPA-UHFFFAOYSA-N |