ethyl 1-{2-[2-(ethoxycarbonyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-[2-(ethoxycarbonyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxylate
ethyl 1-{2-[2-(ethoxycarbonyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | C513-0041 |
| Compound Name: | ethyl 1-{2-[2-(ethoxycarbonyl)anilino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 346.34 |
| Molecular Formula: | C16 H18 N4 O5 |
| Smiles: | CCOC(c1ccccc1NC(Cn1cc(C(=O)OCC)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7759 |
| logD: | 1.7629 |
| logSw: | -2.5898 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.711 |
| InChI Key: | NDKMBJSOTXTPFB-UHFFFAOYSA-N |