methyl ({5-[(2,5-dichlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({5-[(2,5-dichlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({5-[(2,5-dichlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | Y205-7427 |
| Compound Name: | methyl ({5-[(2,5-dichlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 376.26 |
| Molecular Formula: | C14 H15 Cl2 N3 O3 S |
| Smiles: | CCn1c(COc2cc(ccc2[Cl])[Cl])nnc1SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2751 |
| logD: | 3.2751 |
| logSw: | -3.4553 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.378 |
| InChI Key: | WKMDEVCVVSLIFX-UHFFFAOYSA-N |