2-{[4-(4-methoxyphenyl)-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[4-(4-methoxyphenyl)-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
2-{[4-(4-methoxyphenyl)-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C592-3838 |
| Compound Name: | 2-{[4-(4-methoxyphenyl)-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 421.48 |
| Molecular Formula: | C21 H19 N5 O3 S |
| Smiles: | COc1ccc(cc1)n1c(COc2cccc3cccnc23)nnc1SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0208 |
| logD: | 2.0158 |
| logSw: | -2.3562 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.011 |
| InChI Key: | XOWGGSDDTJYVPE-UHFFFAOYSA-N |