2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C592-3895 |
| Compound Name: | 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C19 H22 N6 O2 S2 |
| Smiles: | CCOc1ccc(cc1)n1c(CSc2nc(C)cc(C)n2)nnc1SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.158 |
| logD: | 2.158 |
| logSw: | -2.7295 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.378 |
| InChI Key: | MGJHITRCQCMZQV-UHFFFAOYSA-N |