methyl ({5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | Y206-5244 |
| Compound Name: | methyl ({5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 341.81 |
| Molecular Formula: | C14 H16 Cl N3 O3 S |
| Smiles: | Cc1cc(ccc1[Cl])OCc1nnc(n1C)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5325 |
| logD: | 2.5325 |
| logSw: | -3.0809 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.376 |
| InChI Key: | GJOQDTKOWHSIMC-UHFFFAOYSA-N |