ethyl {[5-(5-ethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-(5-ethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[5-(5-ethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y202-8831 |
| Compound Name: | ethyl {[5-(5-ethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 311.42 |
| Molecular Formula: | C13 H17 N3 O2 S2 |
| Smiles: | CCc1cc(cs1)c1nnc(n1C)SCC(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.8417 |
| logD: | 2.8408 |
| logSw: | -3.0415 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.499 |
| InChI Key: | QWPUIGKRACQWOG-UHFFFAOYSA-N |