4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8009-7310 |
| Compound Name: | 4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 349.45 |
| Molecular Formula: | C17 H23 N3 O3 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1nnc(n1C1CCCCC1)S |
| Stereo: | ACHIRAL |
| logP: | 3.0969 |
| logD: | 2.9362 |
| logSw: | -3.0148 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.269 |
| InChI Key: | RVGXNGRYLSLIIC-UHFFFAOYSA-N |