dimethyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
dimethyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C200-1607 |
| Compound Name: | dimethyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 366.76 |
| Molecular Formula: | C15 H15 Cl N4 O5 |
| Smiles: | Cc1ccc(cc1[Cl])NC(Cn1c(C(=O)OC)c(C(=O)OC)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2777 |
| logD: | 2.2776 |
| logSw: | -3.2112 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.472 |
| InChI Key: | ULLISINHFSIAQS-UHFFFAOYSA-N |