N-(4-bromo-3-methylphenyl)-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
N-(4-bromo-3-methylphenyl)-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Compound characteristics
| Compound ID: | E019-0728 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide |
| Molecular Weight: | 470.39 |
| Molecular Formula: | C22 H20 Br N3 O2 S |
| Smiles: | CCC(C(Nc1ccc(c(C)c1)[Br])=O)N1C(c2c3ccccc3sc2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9134 |
| logD: | 5.9133 |
| logSw: | -5.6774 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.867 |
| InChI Key: | VYOGPJUYJLJTEK-KRWDZBQOSA-N |