2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(3,5-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(3,5-dimethoxyphenyl)acetamide
2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(3,5-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F804-0212 |
| Compound Name: | 2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(3,5-dimethoxyphenyl)acetamide |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C21 H25 N5 O4 S |
| Smiles: | COc1cc(cc(c1)OC)NC(CN1C(N2C(C=CC(=N2)SC2CCCCC2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4078 |
| logD: | 4.4078 |
| logSw: | -4.1831 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.605 |
| InChI Key: | HFRAPTQLXNIQOL-UHFFFAOYSA-N |