4,5-bis(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4,5-bis(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
4,5-bis(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8018-6553 |
| Compound Name: | 4,5-bis(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 373.43 |
| Molecular Formula: | C18 H19 N3 O4 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1c1ccc(c(c1)OC)OC)S |
| Stereo: | ACHIRAL |
| logP: | 2.5658 |
| logD: | 1.0232 |
| logSw: | -2.7206 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.979 |
| InChI Key: | JGXCJQYFGRBPFN-UHFFFAOYSA-N |