1-[2-(2,3-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylic acid
Chemical Structure Depiction of
1-[2-(2,3-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylic acid
1-[2-(2,3-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylic acid
Compound characteristics
| Compound ID: | C337-0228 |
| Compound Name: | 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylic acid |
| Molecular Weight: | 318.29 |
| Molecular Formula: | C14 H14 N4 O5 |
| Smiles: | Cc1cccc(c1C)NC(Cn1c(C(O)=O)c(C(O)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0488 |
| logD: | -6.044 |
| logSw: | -1.8944 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.243 |
| InChI Key: | WOVSGDAOZHGLIC-UHFFFAOYSA-N |