5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(2,5-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(2,5-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(2,5-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8014-1401 |
| Compound Name: | 5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(2,5-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 413.88 |
| Molecular Formula: | C19 H16 Cl N5 O2 S |
| Smiles: | COc1ccc(c(c1)N1C(c2cc(c3ccc(cc3)[Cl])n[nH]2)=NNC1=S)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9811 |
| logD: | 4.7372 |
| logSw: | -5.3035 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.336 |
| InChI Key: | AYPJTQXTJYHIPQ-UHFFFAOYSA-N |