ethyl {[4-(4-ethoxyphenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[4-(4-ethoxyphenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[4-(4-ethoxyphenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C663-0709 |
| Compound Name: | ethyl {[4-(4-ethoxyphenyl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C19 H21 N5 O3 S2 |
| Smiles: | CCOC(CSc1nnc(CSc2ncccn2)n1c1ccc(cc1)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7782 |
| logD: | 2.7779 |
| logSw: | -2.9439 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.4 |
| InChI Key: | NMCOSZAJXSERBE-UHFFFAOYSA-N |