4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-7524 |
| Compound Name: | 4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C19 H21 N3 O5 S |
| Smiles: | COc1ccc(cc1OC)n1c(c2cc(c(c(c2)OC)OC)OC)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.4257 |
| logD: | 0.8832 |
| logSw: | -2.6938 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.696 |
| InChI Key: | PWCCZHPMTZULDH-UHFFFAOYSA-N |