methyl ({5-[4-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({5-[4-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({5-[4-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | Y502-6208 |
| Compound Name: | methyl ({5-[4-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 343.35 |
| Molecular Formula: | C14 H15 F2 N3 O3 S |
| Smiles: | CCn1c(c2ccc(cc2)OC(F)F)nnc1SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5348 |
| logD: | 2.5346 |
| logSw: | -2.5377 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.421 |
| InChI Key: | KIEWVDYGCAHLES-UHFFFAOYSA-N |