2-{[4-(4-methoxyphenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[4-(4-methoxyphenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
2-{[4-(4-methoxyphenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C592-3886 |
| Compound Name: | 2-{[4-(4-methoxyphenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 388.47 |
| Molecular Formula: | C16 H16 N6 O2 S2 |
| Smiles: | COc1ccc(cc1)n1c(CSc2ncccn2)nnc1SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0194 |
| logD: | 1.0194 |
| logSw: | -2.1532 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.049 |
| InChI Key: | GEIABOTYFMTFSW-UHFFFAOYSA-N |