ethyl 4-{2-[6-(4-chlorophenyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[6-(4-chlorophenyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate
ethyl 4-{2-[6-(4-chlorophenyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M452-0293 |
| Compound Name: | ethyl 4-{2-[6-(4-chlorophenyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 451.87 |
| Molecular Formula: | C22 H18 Cl N5 O4 |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C(N2C(C=CC(c3ccc(cc3)[Cl])=N2)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6373 |
| logD: | 4.6373 |
| logSw: | -4.7133 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.66 |
| InChI Key: | PSZXZFQWDIQBEY-UHFFFAOYSA-N |