dimethyl 1-[1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate
dimethyl 1-[1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0167 |
| Compound Name: | dimethyl 1-[1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 394.81 |
| Molecular Formula: | C17 H19 Cl N4 O5 |
| Smiles: | CCC(C(Nc1cc(ccc1C)[Cl])=O)n1c(C(=O)OC)c(C(=O)OC)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4247 |
| logD: | 2.4242 |
| logSw: | -3.3011 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.66 |
| InChI Key: | MGZMRUSNMTVRTP-LBPRGKRZSA-N |