1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylic acid
Chemical Structure Depiction of
1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylic acid
1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylic acid
Compound characteristics
| Compound ID: | C337-0223 |
| Compound Name: | 1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylic acid |
| Molecular Weight: | 384.73 |
| Molecular Formula: | C14 H13 Cl N4 O7 |
| Smiles: | COc1cc(c(cc1NC(Cn1c(C(O)=O)c(C(O)=O)nn1)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | -0.2829 |
| logD: | -6.3757 |
| logSw: | -2.2724 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.503 |
| InChI Key: | OJKSMDIFZAXMRR-UHFFFAOYSA-N |