ethyl 4-{2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate
ethyl 4-{2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F804-0116 |
| Compound Name: | ethyl 4-{2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C(N2C(C=CC(=N2)Sc2ccccc2)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2832 |
| logD: | 4.2831 |
| logSw: | -4.1148 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.079 |
| InChI Key: | DMDKJWFPVIMQNL-UHFFFAOYSA-N |