diethyl 1-{1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl}-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-{1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl}-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-{1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl}-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0193 |
| Compound Name: | diethyl 1-{1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl}-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 442.39 |
| Molecular Formula: | C19 H21 F3 N4 O5 |
| Smiles: | CCC(C(Nc1cccc(c1)C(F)(F)F)=O)n1c(C(=O)OCC)c(C(=O)OCC)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4122 |
| logD: | 3.4112 |
| logSw: | -3.7084 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.518 |
| InChI Key: | HFQIGWJZSMBLGF-ZDUSSCGKSA-N |