methyl 2-(2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamido)benzoate
methyl 2-(2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | F804-0522 |
| Compound Name: | methyl 2-(2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[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: | Cc1ccc(cc1)SC1C=CC2=NN(CC(Nc3ccccc3C(=O)OC)=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0148 |
| logD: | 4.0098 |
| logSw: | -4.2027 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.802 |
| InChI Key: | AUWISROIBUXDIV-UHFFFAOYSA-N |