N-(5-chloropyridin-2-yl)-2-{[4-methyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloropyridin-2-yl)-2-{[4-methyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(5-chloropyridin-2-yl)-2-{[4-methyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y206-0052 |
| Compound Name: | N-(5-chloropyridin-2-yl)-2-{[4-methyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 373.86 |
| Molecular Formula: | C17 H16 Cl N5 O S |
| Smiles: | Cc1cccc(c1)c1nnc(n1C)SCC(Nc1ccc(cn1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8841 |
| logD: | 3.8754 |
| logSw: | -4.1073 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.905 |
| InChI Key: | IHWQQPWEMAEZIJ-UHFFFAOYSA-N |