1-{2-[2-(ethoxycarbonyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylic acid
Chemical Structure Depiction of
1-{2-[2-(ethoxycarbonyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylic acid
1-{2-[2-(ethoxycarbonyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylic acid
Compound characteristics
| Compound ID: | C337-0238 |
| Compound Name: | 1-{2-[2-(ethoxycarbonyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylic acid |
| Molecular Weight: | 362.3 |
| Molecular Formula: | C15 H14 N4 O7 |
| Smiles: | CCOC(c1ccccc1NC(Cn1c(C(O)=O)c(C(O)=O)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.3135 |
| logD: | -6.4063 |
| logSw: | -2.301 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 125.996 |
| InChI Key: | DHGWZHROAQYECF-UHFFFAOYSA-N |