diethyl 1-[2-(2-nitroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-[2-(2-nitroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-[2-(2-nitroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0111 |
| Compound Name: | diethyl 1-[2-(2-nitroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 391.34 |
| Molecular Formula: | C16 H17 N5 O7 |
| Smiles: | CCOC(c1c(C(=O)OCC)n(CC(Nc2ccccc2[N+]([O-])=O)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3339 |
| logD: | 1.3245 |
| logSw: | -2.3515 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 123.014 |
| InChI Key: | ZJSFEFMEQLTKLB-UHFFFAOYSA-N |