N-(2,4-difluorophenyl)-5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(2,4-difluorophenyl)-5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
N-(2,4-difluorophenyl)-5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E141-1081 |
| Compound Name: | N-(2,4-difluorophenyl)-5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 360.38 |
| Molecular Formula: | C17 H14 F2 N4 O S |
| Smiles: | Cc1c(C(Nc2ccc(cc2F)F)=O)nnn1c1cccc(c1)SC |
| Stereo: | ACHIRAL |
| logP: | 3.4079 |
| logD: | 3.1652 |
| logSw: | -3.8122 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.475 |
| InChI Key: | YFDBUTBKSQSNDA-UHFFFAOYSA-N |