dimethyl 1-[2-oxo-2-(4-phenoxyanilino)ethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[2-oxo-2-(4-phenoxyanilino)ethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
dimethyl 1-[2-oxo-2-(4-phenoxyanilino)ethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0040 |
| Compound Name: | dimethyl 1-[2-oxo-2-(4-phenoxyanilino)ethyl]-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 410.38 |
| Molecular Formula: | C20 H18 N4 O6 |
| Smiles: | COC(c1c(C(=O)OC)n(CC(Nc2ccc(cc2)Oc2ccccc2)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5776 |
| logD: | 2.5776 |
| logSw: | -2.9629 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.219 |
| InChI Key: | CNKDBZBBGZCLOM-UHFFFAOYSA-N |