dimethyl 1-[1-(4-methoxyanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[1-(4-methoxyanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate
dimethyl 1-[1-(4-methoxyanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0173 |
| Compound Name: | dimethyl 1-[1-(4-methoxyanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 376.37 |
| Molecular Formula: | C17 H20 N4 O6 |
| Smiles: | CCC(C(Nc1ccc(cc1)OC)=O)n1c(C(=O)OC)c(C(=O)OC)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6514 |
| logD: | 1.6514 |
| logSw: | -2.1328 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.902 |
| InChI Key: | UJNQXKZHEDAXAW-LBPRGKRZSA-N |