2-{[5-(4-ethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-ethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
2-{[5-(4-ethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | Y205-6567 |
| Compound Name: | 2-{[5-(4-ethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C20 H22 N4 O3 S |
| Smiles: | CCOc1ccc(cc1)c1nnc(n1C)SCC(Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5662 |
| logD: | 3.5662 |
| logSw: | -3.6937 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.868 |
| InChI Key: | PKPBYJRTNKFZMP-UHFFFAOYSA-N |