2-({5-[4-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
Chemical Structure Depiction of
2-({5-[4-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
2-({5-[4-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y502-5667 |
| Compound Name: | 2-({5-[4-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one |
| Molecular Weight: | 447.46 |
| Molecular Formula: | C21 H19 F2 N3 O4 S |
| Smiles: | CCn1c(c2ccc(cc2)OC(F)F)nnc1SCC(c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3389 |
| logD: | 3.3389 |
| logSw: | -3.5579 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.641 |
| InChI Key: | SITKZQYTNJDFKR-UHFFFAOYSA-N |