diethyl 1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0102 |
| Compound Name: | diethyl 1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 410.81 |
| Molecular Formula: | C17 H19 Cl N4 O6 |
| Smiles: | CCOC(c1c(C(=O)OCC)n(CC(Nc2cc(ccc2OC)[Cl])=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8404 |
| logD: | 1.8376 |
| logSw: | -2.8613 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.564 |
| InChI Key: | SITPZXUCVKPBKE-UHFFFAOYSA-N |