dimethyl 1-[2-(4-ethoxy-2-nitroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[2-(4-ethoxy-2-nitroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
dimethyl 1-[2-(4-ethoxy-2-nitroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C200-1428 |
| Compound Name: | dimethyl 1-[2-(4-ethoxy-2-nitroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 407.34 |
| Molecular Formula: | C16 H17 N5 O8 |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)NC(Cn1c(C(=O)OC)c(C(=O)OC)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4195 |
| logD: | 1.3999 |
| logSw: | -2.536 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 130.978 |
| InChI Key: | QXEDNPAKURLLKE-UHFFFAOYSA-N |