ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 1453-5058 |
| Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 345.27 |
| Molecular Formula: | C13 H11 N7 O5 |
| Smiles: | CCOC(c1c(c2cccc(c2)[N+]([O-])=O)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9281 |
| logD: | 1.9281 |
| logSw: | -2.2744 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 136.222 |
| InChI Key: | MONJPYJSXWFVDW-UHFFFAOYSA-N |