diethyl 1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0128 |
| Compound Name: | diethyl 1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 440.84 |
| Molecular Formula: | C18 H21 Cl N4 O7 |
| Smiles: | CCOC(c1c(C(=O)OCC)n(CC(Nc2cc(c(cc2OC)OC)[Cl])=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8863 |
| logD: | 1.8804 |
| logSw: | -2.9274 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.194 |
| InChI Key: | VDJFWGDVIUXNRY-UHFFFAOYSA-N |