4-(2,4-dimethoxyphenyl)-5-{4-[(4-ethoxyphenoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2,4-dimethoxyphenyl)-5-{4-[(4-ethoxyphenoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
4-(2,4-dimethoxyphenyl)-5-{4-[(4-ethoxyphenoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y501-9873 |
| Compound Name: | 4-(2,4-dimethoxyphenyl)-5-{4-[(4-ethoxyphenoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 463.55 |
| Molecular Formula: | C25 H25 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)OCc1ccc(cc1)c1nnc(n1c1ccc(cc1OC)OC)S |
| Stereo: | ACHIRAL |
| logP: | 5.1022 |
| logD: | 3.5597 |
| logSw: | -5.1059 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.682 |
| InChI Key: | AKNOMNYCJSDFOV-UHFFFAOYSA-N |