2-{[4-(4-chlorophenyl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[4-(4-chlorophenyl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
2-{[4-(4-chlorophenyl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C592-3897 |
| Compound Name: | 2-{[4-(4-chlorophenyl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 420.94 |
| Molecular Formula: | C17 H17 Cl N6 O S2 |
| Smiles: | Cc1cc(C)nc(n1)SCc1nnc(n1c1ccc(cc1)[Cl])SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3837 |
| logD: | 2.3837 |
| logSw: | -3.0691 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.254 |
| InChI Key: | KGEGTDUJEDAIJN-UHFFFAOYSA-N |