2-{3-[2-(3,4-dimethoxyphenyl)ethenyl]-1-(4-methylbenzene-1-sulfonyl)-1H-1,2,4-triazol-5-yl}phenol
Chemical Structure Depiction of
2-{3-[2-(3,4-dimethoxyphenyl)ethenyl]-1-(4-methylbenzene-1-sulfonyl)-1H-1,2,4-triazol-5-yl}phenol
2-{3-[2-(3,4-dimethoxyphenyl)ethenyl]-1-(4-methylbenzene-1-sulfonyl)-1H-1,2,4-triazol-5-yl}phenol
Compound characteristics
| Compound ID: | 8401-0019 |
| Compound Name: | 2-{3-[2-(3,4-dimethoxyphenyl)ethenyl]-1-(4-methylbenzene-1-sulfonyl)-1H-1,2,4-triazol-5-yl}phenol |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C25 H23 N3 O5 S |
| Smiles: | Cc1ccc(cc1)S(n1c(c2ccccc2O)nc(/C=C/c2ccc(c(c2)OC)OC)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2824 |
| logD: | 5.1127 |
| logSw: | -5.033 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.619 |
| InChI Key: | LPIWQDIPOBVMRH-UHFFFAOYSA-N |