4-(5-chloro-2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(5-chloro-2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
4-(5-chloro-2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y512-5176 |
| Compound Name: | 4-(5-chloro-2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 407.87 |
| Molecular Formula: | C18 H18 Cl N3 O4 S |
| Smiles: | COc1ccc(cc1n1c(c2cc(c(c(c2)OC)OC)OC)nnc1S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.158 |
| logD: | 1.615 |
| logSw: | -3.456 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.77 |
| InChI Key: | XKKPTQJTCXFNMT-UHFFFAOYSA-N |