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 |