diethyl 1-[1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-[1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-[1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0182 |
| Compound Name: | diethyl 1-[1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 422.87 |
| Molecular Formula: | C19 H23 Cl N4 O5 |
| Smiles: | CCC(C(Nc1cc(ccc1C)[Cl])=O)n1c(C(=O)OCC)c(C(=O)OCC)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1247 |
| logD: | 3.1242 |
| logSw: | -3.4161 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.82 |
| InChI Key: | BFBYVUAUTHMSRN-AWEZNQCLSA-N |