1-[1-(4-chlorophenyl)-5-(2,4-difluoroanilino)-1H-1,2,3-triazol-4-yl]ethan-1-one
Chemical Structure Depiction of
1-[1-(4-chlorophenyl)-5-(2,4-difluoroanilino)-1H-1,2,3-triazol-4-yl]ethan-1-one
1-[1-(4-chlorophenyl)-5-(2,4-difluoroanilino)-1H-1,2,3-triazol-4-yl]ethan-1-one
Compound characteristics
Compound ID: | D112-0026 |
Compound Name: | 1-[1-(4-chlorophenyl)-5-(2,4-difluoroanilino)-1H-1,2,3-triazol-4-yl]ethan-1-one |
Molecular Weight: | 348.74 |
Molecular Formula: | C16 H11 Cl F2 N4 O |
Smiles: | CC(c1c(Nc2ccc(cc2F)F)n(c2ccc(cc2)[Cl])nn1)=O |
Stereo: | ACHIRAL |
logP: | 3.8409 |
logD: | 3.8409 |
logSw: | -4.3306 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.795 |
InChI Key: | DHWYNQYVELQEDR-UHFFFAOYSA-N |