({5-[2-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetonitrile
Chemical Structure Depiction of
({5-[2-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetonitrile
({5-[2-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetonitrile
Compound characteristics
| Compound ID: | Y500-8763 |
| Compound Name: | ({5-[2-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetonitrile |
| Molecular Weight: | 310.32 |
| Molecular Formula: | C13 H12 F2 N4 O S |
| Smiles: | CCn1c(c2ccccc2OC(F)F)nnc1SCC#N |
| Stereo: | ACHIRAL |
| logP: | 2.2719 |
| logD: | 2.2719 |
| logSw: | -2.6927 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.421 |
| InChI Key: | DTBBUYYXRDGAIJ-UHFFFAOYSA-N |