N-(3-chloro-2-methylphenyl)-2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-chloro-2-methylphenyl)-2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-6311 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 378.9 |
| Molecular Formula: | C16 H15 Cl N4 O S2 |
| Smiles: | Cc1c(cccc1[Cl])NC(CSc1nnc(c2cccs2)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7426 |
| logD: | 3.7424 |
| logSw: | -3.9117 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.521 |
| InChI Key: | YBQYOURHHZPPLH-UHFFFAOYSA-N |