diethyl 1-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0090 |
| Compound Name: | diethyl 1-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 418.4 |
| Molecular Formula: | C19 H22 N4 O7 |
| Smiles: | CCOC(c1ccc(cc1)NC(Cn1c(C(=O)OCC)c(C(=O)OCC)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1889 |
| logD: | 2.1888 |
| logSw: | -2.7512 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.385 |
| InChI Key: | XKNPCINUHRAGNS-UHFFFAOYSA-N |