ethyl {[5-(4-ethyl-5-methylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-(4-ethyl-5-methylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[5-(4-ethyl-5-methylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y205-5846 |
| Compound Name: | ethyl {[5-(4-ethyl-5-methylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 325.45 |
| Molecular Formula: | C14 H19 N3 O2 S2 |
| Smiles: | CCc1c(csc1C)c1nnc(n1C)SCC(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.2298 |
| logD: | 3.2241 |
| logSw: | -3.3495 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.499 |
| InChI Key: | QMHGYZGLXHHMLU-UHFFFAOYSA-N |