dimethyl 1-[1-(3,4-dimethylanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[1-(3,4-dimethylanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate
dimethyl 1-[1-(3,4-dimethylanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0177 |
| Compound Name: | dimethyl 1-[1-(3,4-dimethylanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 374.39 |
| Molecular Formula: | C18 H22 N4 O5 |
| Smiles: | CCC(C(Nc1ccc(C)c(C)c1)=O)n1c(C(=O)OC)c(C(=O)OC)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6564 |
| logD: | 2.6564 |
| logSw: | -2.9 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.358 |
| InChI Key: | ZUTBSVGWNZXKME-ZDUSSCGKSA-N |