diethyl 1-[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C200-4747 |
| Compound Name: | diethyl 1-[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 484.9 |
| Molecular Formula: | C23 H21 Cl N4 O6 |
| Smiles: | CCOC(c1c(C(=O)OCC)n(CC(Nc2ccc(cc2C(c2ccccc2)=O)[Cl])=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1922 |
| logD: | 3.1888 |
| logSw: | -3.7473 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.401 |
| InChI Key: | TVYFAJCTCLNSDO-UHFFFAOYSA-N |