dimethyl 1-{1-oxo-1-[4-(propan-2-yl)anilino]butan-2-yl}-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-{1-oxo-1-[4-(propan-2-yl)anilino]butan-2-yl}-1H-1,2,3-triazole-4,5-dicarboxylate
dimethyl 1-{1-oxo-1-[4-(propan-2-yl)anilino]butan-2-yl}-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0176 |
| Compound Name: | dimethyl 1-{1-oxo-1-[4-(propan-2-yl)anilino]butan-2-yl}-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C19 H24 N4 O5 |
| Smiles: | CCC(C(Nc1ccc(cc1)C(C)C)=O)n1c(C(=O)OC)c(C(=O)OC)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0072 |
| logD: | 3.0072 |
| logSw: | -3.3866 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.358 |
| InChI Key: | WFYOZBJWNWOWOJ-AWEZNQCLSA-N |