ethyl 4-{5-[2-(8-hydroxy-7-nitro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethenyl]furan-2-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{5-[2-(8-hydroxy-7-nitro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethenyl]furan-2-yl}benzoate
ethyl 4-{5-[2-(8-hydroxy-7-nitro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethenyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 7445-0013 |
| Compound Name: | ethyl 4-{5-[2-(8-hydroxy-7-nitro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethenyl]furan-2-yl}benzoate |
| Molecular Weight: | 421.37 |
| Molecular Formula: | C20 H15 N5 O6 |
| Smiles: | CCOC(c1ccc(cc1)c1ccc(/C=C/c2c(c(c3nncn3n2)O)[N+]([O-])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0142 |
| logD: | 0.96 |
| logSw: | -4.1799 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.442 |
| InChI Key: | ORHNSDGMSIWRRJ-UHFFFAOYSA-N |