N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-0541 |
| Compound Name: | N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 493.89 |
| Molecular Formula: | C21 H15 Cl F3 N5 O2 S |
| Smiles: | Cc1ccc(cc1)SC1C=CC2=NN(CC(Nc3ccc(cc3C(F)(F)F)[Cl])=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5949 |
| logD: | 5.5948 |
| logSw: | -5.8554 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.628 |
| InChI Key: | GPRGXKVJYAYQOU-UHFFFAOYSA-N |