1-(3-bromo-4-methoxyphenyl)-2-{[5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3-bromo-4-methoxyphenyl)-2-{[5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(3-bromo-4-methoxyphenyl)-2-{[5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | D396-0059 |
| Compound Name: | 1-(3-bromo-4-methoxyphenyl)-2-{[5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 448.34 |
| Molecular Formula: | C19 H18 Br N3 O3 S |
| Smiles: | CCOc1ccc(cc1)c1nnc([nH]1)SCC(c1ccc(c(c1)[Br])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.23 |
| logD: | 3.0204 |
| logSw: | -4.3129 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.475 |
| InChI Key: | GKRODGLUQXHJME-UHFFFAOYSA-N |