2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C592-3896 |
| Compound Name: | 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C17 H17 F N6 O S2 |
| Smiles: | Cc1cc(C)nc(n1)SCc1nnc(n1c1ccc(cc1)F)SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8181 |
| logD: | 1.8181 |
| logSw: | -2.3506 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.254 |
| InChI Key: | NCDKWIDAAGOBMJ-UHFFFAOYSA-N |