ethyl {[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y206-0298 |
| Compound Name: | ethyl {[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 291.37 |
| Molecular Formula: | C14 H17 N3 O2 S |
| Smiles: | CCOC(CSc1nnc(c2ccc(C)cc2)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8494 |
| logD: | 2.8493 |
| logSw: | -2.9905 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.481 |
| InChI Key: | QFAXZCVAQDXPEH-UHFFFAOYSA-N |