1-(2-aminophenyl)-2-{[5-(4-ethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2-aminophenyl)-2-{[5-(4-ethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2-aminophenyl)-2-{[5-(4-ethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8015-4858 |
| Compound Name: | 1-(2-aminophenyl)-2-{[5-(4-ethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 368.46 |
| Molecular Formula: | C19 H20 N4 O2 S |
| Smiles: | CCOc1ccc(cc1)c1nnc(n1C)SCC(c1ccccc1N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2889 |
| logD: | 3.2888 |
| logSw: | -3.5889 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.517 |
| InChI Key: | ZEWAXCMMYIPKSI-UHFFFAOYSA-N |