2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
Chemical Structure Depiction of
2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
Compound characteristics
| Compound ID: | F804-1033 |
| Compound Name: | 2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide |
| Molecular Weight: | 435.93 |
| Molecular Formula: | C19 H22 Cl N5 O3 S |
| Smiles: | Cc1cc(c(cc1[Cl])OC)NC(CN1C(N2C(C=CC(=N2)SC(C)(C)C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3093 |
| logD: | 4.3085 |
| logSw: | -4.5024 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.53 |
| InChI Key: | MQLUIAFKLBCKCI-UHFFFAOYSA-N |