2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F804-1068 |
| Compound Name: | 2-[6-(tert-butylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 459.88 |
| Molecular Formula: | C18 H17 Cl F3 N5 O2 S |
| Smiles: | CC(C)(C)SC1C=CC2=NN(CC(Nc3cc(ccc3[Cl])C(F)(F)F)=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5833 |
| logD: | 4.5712 |
| logSw: | -4.6837 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.899 |
| InChI Key: | ARULHCICFPWPNR-UHFFFAOYSA-N |