2-[5-chloro-4-{[2-(methylamino)-2-oxoethyl]sulfanyl}-6-oxopyridazin-1(6H)-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-[5-chloro-4-{[2-(methylamino)-2-oxoethyl]sulfanyl}-6-oxopyridazin-1(6H)-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide
2-[5-chloro-4-{[2-(methylamino)-2-oxoethyl]sulfanyl}-6-oxopyridazin-1(6H)-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | M491-0692 |
| Compound Name: | 2-[5-chloro-4-{[2-(methylamino)-2-oxoethyl]sulfanyl}-6-oxopyridazin-1(6H)-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide |
| Molecular Weight: | 448.85 |
| Molecular Formula: | C17 H16 Cl F3 N4 O3 S |
| Smiles: | CNC(CSC1C=NN(CC(NCc2ccc(cc2)C(F)(F)F)=O)C(C=1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0474 |
| logD: | 2.0474 |
| logSw: | -3.0531 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.595 |
| InChI Key: | ZVYPVPABKHBIDS-UHFFFAOYSA-N |