methyl {[5-(5-ethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-(5-ethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-(5-ethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y206-5245 |
| Compound Name: | methyl {[5-(5-ethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 297.4 |
| Molecular Formula: | C12 H15 N3 O2 S2 |
| Smiles: | CCc1cc(cs1)c1nnc(n1C)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.2505 |
| logD: | 2.2497 |
| logSw: | -2.2896 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.92 |
| InChI Key: | FPXQNJXFJRLKBS-UHFFFAOYSA-N |