diethyl 1-[1-(2-methoxy-5-methylanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-[1-(2-methoxy-5-methylanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-[1-(2-methoxy-5-methylanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0189 |
| Compound Name: | diethyl 1-[1-(2-methoxy-5-methylanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C20 H26 N4 O6 |
| Smiles: | CCC(C(Nc1cc(C)ccc1OC)=O)n1c(C(=O)OCC)c(C(=O)OCC)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5044 |
| logD: | 2.5044 |
| logSw: | -2.8752 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.451 |
| InChI Key: | NNXPJWDNCAKJIJ-AWEZNQCLSA-N |