methyl {[4-(4-ethoxyphenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-(4-ethoxyphenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[4-(4-ethoxyphenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C663-0708 |
| Compound Name: | methyl {[4-(4-ethoxyphenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 417.51 |
| Molecular Formula: | C18 H19 N5 O3 S2 |
| Smiles: | CCOc1ccc(cc1)n1c(CSc2ncccn2)nnc1SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.1871 |
| logD: | 2.1868 |
| logSw: | -2.4322 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.82 |
| InChI Key: | VLFSHLOFJBLHMK-UHFFFAOYSA-N |