diethyl 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C200-4666 |
| Compound Name: | diethyl 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 398.78 |
| Molecular Formula: | C16 H16 Cl F N4 O5 |
| Smiles: | CCOC(c1c(C(=O)OCC)n(CC(Nc2ccc(c(c2)[Cl])F)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3177 |
| logD: | 2.3114 |
| logSw: | -3.3578 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.631 |
| InChI Key: | JGFZACIGKRRJEM-UHFFFAOYSA-N |