N-(2-ethyl-6-methylphenyl)-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-ethyl-6-methylphenyl)-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2-ethyl-6-methylphenyl)-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G731-0766 |
| Compound Name: | N-(2-ethyl-6-methylphenyl)-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C20 H22 N4 O2 S |
| Smiles: | CCc1cccc(C)c1NC(CSc1nnc(c2ccc(cc2)OC)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5118 |
| logD: | 2.3201 |
| logSw: | -3.4918 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.771 |
| InChI Key: | NJPJSUGBYIHIME-UHFFFAOYSA-N |