diethyl 1-[1-(4-fluoroanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-[1-(4-fluoroanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-[1-(4-fluoroanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0185 |
| Compound Name: | diethyl 1-[1-(4-fluoroanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 392.39 |
| Molecular Formula: | C18 H21 F N4 O5 |
| Smiles: | CCC(C(Nc1ccc(cc1)F)=O)n1c(C(=O)OCC)c(C(=O)OCC)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.398 |
| logD: | 2.3978 |
| logSw: | -2.9194 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.518 |
| InChI Key: | VZBRLQKVCLWQDO-ZDUSSCGKSA-N |