5-(3,5-dimethoxyphenyl)-4-(naphthalen-1-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(3,5-dimethoxyphenyl)-4-(naphthalen-1-yl)-4H-1,2,4-triazole-3-thiol
5-(3,5-dimethoxyphenyl)-4-(naphthalen-1-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8013-8013 |
| Compound Name: | 5-(3,5-dimethoxyphenyl)-4-(naphthalen-1-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 363.44 |
| Molecular Formula: | C20 H17 N3 O2 S |
| Smiles: | COc1cc(cc(c1)OC)c1nnc(n1c1cccc2ccccc12)S |
| Stereo: | ACHIRAL |
| logP: | 4.4377 |
| logD: | 3.3617 |
| logSw: | -4.6017 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.973 |
| InChI Key: | ACXPYHQJUNNMDS-UHFFFAOYSA-N |