2-{[4-(2-phenylethyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[4-(2-phenylethyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
2-{[4-(2-phenylethyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C592-3884 |
| Compound Name: | 2-{[4-(2-phenylethyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 386.5 |
| Molecular Formula: | C17 H18 N6 O S2 |
| Smiles: | C(Cn1c(CSc2ncccn2)nnc1SCC(N)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.3924 |
| logD: | 1.3924 |
| logSw: | -1.8238 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.741 |
| InChI Key: | MTBKBRIROAFLPJ-UHFFFAOYSA-N |