ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,4-dimethoxyanilino)methyl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,4-dimethoxyanilino)methyl]-1H-1,2,3-triazole-4-carboxylate
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,4-dimethoxyanilino)methyl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8012-4554 |
| Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,4-dimethoxyanilino)methyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 389.37 |
| Molecular Formula: | C16 H19 N7 O5 |
| Smiles: | CCOC(c1c(CNc2ccc(cc2OC)OC)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6325 |
| logD: | 1.6318 |
| logSw: | -2.2168 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 128.304 |
| InChI Key: | SQBRFAREFISTIM-UHFFFAOYSA-N |