2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | F804-0019 |
| Compound Name: | 2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 483.93 |
| Molecular Formula: | C22 H18 Cl N5 O4 S |
| Smiles: | C(C(Nc1ccc2c(c1)OCCO2)=O)N1C(N2C(C=CC(=N2)SCc2ccc(cc2)[Cl])=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0129 |
| logD: | 3.0129 |
| logSw: | -3.5444 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.149 |
| InChI Key: | CGYNLRMZQAHFRU-UHFFFAOYSA-N |