ethyl 5-(4-nitrophenyl)-1-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 5-(4-nitrophenyl)-1-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazole-4-carboxylate
ethyl 5-(4-nitrophenyl)-1-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8015-0772 |
| Compound Name: | ethyl 5-(4-nitrophenyl)-1-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 395.33 |
| Molecular Formula: | C17 H13 N7 O5 |
| Smiles: | CCOC(c1c(c2ccc(cc2)[N+]([O-])=O)n(c2c(non2)n2cccc2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6219 |
| logD: | 3.6219 |
| logSw: | -3.6714 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 119.444 |
| InChI Key: | TZUKWOKCCIDFEP-UHFFFAOYSA-N |