ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-bromophenyl)-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-bromophenyl)-1H-1,2,3-triazole-4-carboxylate
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-bromophenyl)-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8014-2820 |
| Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-bromophenyl)-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 379.17 |
| Molecular Formula: | C13 H11 Br N6 O3 |
| Smiles: | CCOC(c1c(c2ccc(cc2)[Br])n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7296 |
| logD: | 2.7296 |
| logSw: | -2.7395 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.84 |
| InChI Key: | BQNOJDRRBXUNNB-UHFFFAOYSA-N |