1-[1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylic acid
Chemical Structure Depiction of
1-[1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylic acid
1-[1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylic acid
Compound characteristics
| Compound ID: | C337-0249 |
| Compound Name: | 1-[1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylic acid |
| Molecular Weight: | 366.76 |
| Molecular Formula: | C15 H15 Cl N4 O5 |
| Smiles: | CCC(C(Nc1cc(ccc1C)[Cl])=O)n1c(C(O)=O)c(C(O)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9555 |
| logD: | -4.8562 |
| logSw: | -2.4402 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.129 |
| InChI Key: | ZUVDTSKBTDCLJJ-JTQLQIEISA-N |