2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}butanamide
Chemical Structure Depiction of
2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}butanamide
2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}butanamide
Compound characteristics
| Compound ID: | E019-0837 |
| Compound Name: | 2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}butanamide |
| Molecular Weight: | 451.61 |
| Molecular Formula: | C24 H25 N3 O2 S2 |
| Smiles: | CCC(C(NCCc1ccc(cc1)SC)=O)N1C(c2c3ccccc3sc2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2323 |
| logD: | 5.2323 |
| logSw: | -5.3398 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.031 |
| InChI Key: | XQTVPYLYYCVSLR-IBGZPJMESA-N |