dimethyl 1-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
dimethyl 1-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0023 |
| Compound Name: | dimethyl 1-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 390.35 |
| Molecular Formula: | C17 H18 N4 O7 |
| Smiles: | CCOC(c1ccc(cc1)NC(Cn1c(C(=O)OC)c(C(=O)OC)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4889 |
| logD: | 1.4889 |
| logSw: | -2.266 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.225 |
| InChI Key: | ATOFJLCZAKDCPT-UHFFFAOYSA-N |