dimethyl 1-{2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-{2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
dimethyl 1-{2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0022 |
| Compound Name: | dimethyl 1-{2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 386.28 |
| Molecular Formula: | C15 H13 F3 N4 O5 |
| Smiles: | COC(c1c(C(=O)OC)n(CC(Nc2ccccc2C(F)(F)F)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4032 |
| logD: | 1.4032 |
| logSw: | -2.4037 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.774 |
| InChI Key: | ZHQPKFWWPRLCGF-UHFFFAOYSA-N |