2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C592-3892 |
| Compound Name: | 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 414.55 |
| Molecular Formula: | C19 H22 N6 O S2 |
| Smiles: | Cc1cc(C)nc(n1)SCc1nnc(n1CCc1ccccc1)SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1444 |
| logD: | 2.144 |
| logSw: | -2.5766 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.489 |
| InChI Key: | XYCXEKSKUWSSNN-UHFFFAOYSA-N |