5-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 5633-3595 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 343.4 |
| Molecular Formula: | C17 H17 N3 O3 S |
| Smiles: | COc1ccc(cc1)N1C(c2ccc(c(c2)OC)OC)=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.1198 |
| logD: | 2.159 |
| logSw: | -3.4242 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.778 |
| InChI Key: | CHMZOCNKAJPOCJ-UHFFFAOYSA-N |