N-(4-ethoxyphenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-ethoxyphenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y508-2131 |
| Compound Name: | N-(4-ethoxyphenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 431.52 |
| Molecular Formula: | C23 H21 N5 O2 S |
| Smiles: | CCOc1ccc(cc1)NC(CSc1nnc(c2ccncc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7859 |
| logD: | 3.7859 |
| logSw: | -3.7575 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.414 |
| InChI Key: | FMDKYQYDEWKRAG-UHFFFAOYSA-N |