diethyl 1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C200-4669 |
| Compound Name: | diethyl 1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 443.23 |
| Molecular Formula: | C16 H16 Br F N4 O5 |
| Smiles: | CCOC(c1c(C(=O)OCC)n(CC(Nc2ccc(cc2F)[Br])=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.268 |
| logD: | 2.2617 |
| logSw: | -2.9735 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.934 |
| InChI Key: | ITNCJPCOPRIEDN-UHFFFAOYSA-N |