ethyl ({5-[(2-chloro-5-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({5-[(2-chloro-5-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({5-[(2-chloro-5-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | Y205-6633 |
| Compound Name: | ethyl ({5-[(2-chloro-5-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 355.84 |
| Molecular Formula: | C15 H18 Cl N3 O3 S |
| Smiles: | CCOC(CSc1nnc(COc2cc(C)ccc2[Cl])n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8842 |
| logD: | 2.8842 |
| logSw: | -3.2897 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.043 |
| InChI Key: | QJHIFXJASDNGIQ-UHFFFAOYSA-N |