methyl 4-{2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate
methyl 4-{2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F804-0114 |
| Compound Name: | methyl 4-{2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C21 H17 N5 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(N2C(C=CC(=N2)Sc2ccccc2)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7725 |
| logD: | 3.7725 |
| logSw: | -4.0881 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.499 |
| InChI Key: | RZLKBBORJORCDZ-UHFFFAOYSA-N |