methyl 4-{2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate
methyl 4-{2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F804-0014 |
| Compound Name: | methyl 4-{2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 483.93 |
| Molecular Formula: | C22 H18 Cl N5 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(N2C(C=CC(=N2)SCc2ccc(cc2)[Cl])=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1311 |
| logD: | 4.131 |
| logSw: | -4.4927 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.499 |
| InChI Key: | FPOBXEXZOPVFOE-UHFFFAOYSA-N |