4-(2,5-dimethoxyphenyl)-5-(quinolin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-(2,5-dimethoxyphenyl)-5-(quinolin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-(2,5-dimethoxyphenyl)-5-(quinolin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8013-0562 |
| Compound Name: | 4-(2,5-dimethoxyphenyl)-5-(quinolin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 364.42 |
| Molecular Formula: | C19 H16 N4 O2 S |
| Smiles: | COc1ccc(c(c1)N1C(c2ccc3ccccc3n2)=NNC1=S)OC |
| Stereo: | ACHIRAL |
| logP: | 4.1307 |
| logD: | 3.2003 |
| logSw: | -4.4941 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.177 |
| InChI Key: | JIMNMHSEHPULFB-UHFFFAOYSA-N |