N-(4-chloro-2,5-dimethoxyphenyl)-2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chloro-2,5-dimethoxyphenyl)-2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-chloro-2,5-dimethoxyphenyl)-2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-6422 |
| Compound Name: | N-(4-chloro-2,5-dimethoxyphenyl)-2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 438.95 |
| Molecular Formula: | C18 H19 Cl N4 O3 S2 |
| Smiles: | CCn1c(c2cccs2)nnc1SCC(Nc1cc(c(cc1OC)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8386 |
| logD: | 3.8105 |
| logSw: | -4.1805 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.696 |
| InChI Key: | QLVARVWYWNLFAP-UHFFFAOYSA-N |