2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
Chemical Structure Depiction of
2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
Compound characteristics
| Compound ID: | E019-0644 |
| Compound Name: | 2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)-N-[3-(trifluoromethyl)phenyl]butanamide |
| Molecular Weight: | 445.46 |
| Molecular Formula: | C22 H18 F3 N3 O2 S |
| Smiles: | CCC(C(Nc1cccc(c1)C(F)(F)F)=O)N1C(c2c3ccccc3sc2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.782 |
| logD: | 5.7815 |
| logSw: | -5.839 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.867 |
| InChI Key: | VPKIUQLSSHTIEW-INIZCTEOSA-N |