2-{[5-(3,5-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[5-(3,5-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
2-{[5-(3,5-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | Y600-1515 |
| Compound Name: | 2-{[5-(3,5-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C20 H22 N4 O3 S |
| Smiles: | CCn1c(c2cc(cc(c2)OC)OC)nnc1SCC(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6047 |
| logD: | 3.6047 |
| logSw: | -3.8066 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.202 |
| InChI Key: | XZKIEIDXDHIUMY-UHFFFAOYSA-N |