dimethyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
dimethyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0028 |
| Compound Name: | dimethyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 382.76 |
| Molecular Formula: | C15 H15 Cl N4 O6 |
| Smiles: | COC(c1c(C(=O)OC)n(CC(Nc2ccc(c(c2)[Cl])OC)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3982 |
| logD: | 1.398 |
| logSw: | -2.6906 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.102 |
| InChI Key: | QNNDNGPGLQWNDB-UHFFFAOYSA-N |