diethyl 1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C200-4667 |
| Compound Name: | diethyl 1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C19 H24 N4 O5 |
| Smiles: | CCc1cccc(C)c1NC(Cn1c(C(=O)OCC)c(C(=O)OCC)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2562 |
| logD: | 2.2562 |
| logSw: | -2.5072 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.236 |
| InChI Key: | OCDVIHOCSSQHDP-UHFFFAOYSA-N |