methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8007-4298 |
| Compound Name: | methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 331.24 |
| Molecular Formula: | C12 H9 N7 O5 |
| Smiles: | COC(c1c(c2ccc(cc2)[N+]([O-])=O)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4714 |
| logD: | 1.4714 |
| logSw: | -2.071 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 136.642 |
| InChI Key: | USSMNEOYEOFPBT-UHFFFAOYSA-N |