ethyl 1-[2-(2-fluoroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[2-(2-fluoroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate
ethyl 1-[2-(2-fluoroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | C513-0005 |
| Compound Name: | ethyl 1-[2-(2-fluoroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 292.27 |
| Molecular Formula: | C13 H13 F N4 O3 |
| Smiles: | CCOC(c1cn(CC(Nc2ccccc2F)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2878 |
| logD: | 1.2877 |
| logSw: | -2.1349 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.957 |
| InChI Key: | YTGZFISUJCLZFW-UHFFFAOYSA-N |