ethyl {[5-(2-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-(2-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[5-(2-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y206-0305 |
| Compound Name: | ethyl {[5-(2-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 311.79 |
| Molecular Formula: | C13 H14 Cl N3 O2 S |
| Smiles: | CCOC(CSc1nnc(c2ccccc2[Cl])n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6577 |
| logD: | 2.6576 |
| logSw: | -3.5625 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.481 |
| InChI Key: | CWFOCJBTTAAKIG-UHFFFAOYSA-N |