N-(5-chloropyridin-2-yl)-2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloropyridin-2-yl)-2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(5-chloropyridin-2-yl)-2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y206-0057 |
| Compound Name: | N-(5-chloropyridin-2-yl)-2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 365.86 |
| Molecular Formula: | C14 H12 Cl N5 O S2 |
| Smiles: | Cn1c(c2cccs2)nnc1SCC(Nc1ccc(cn1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2352 |
| logD: | 3.2265 |
| logSw: | -3.4889 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.923 |
| InChI Key: | MWSIMNCPEJNQGX-UHFFFAOYSA-N |