N-[(4-chlorophenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
N-[(4-chlorophenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Compound characteristics
| Compound ID: | E019-0670 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide |
| Molecular Weight: | 425.94 |
| Molecular Formula: | C22 H20 Cl N3 O2 S |
| Smiles: | CCC(C(NCc1ccc(cc1)[Cl])=O)N1C(c2c3ccccc3sc2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9341 |
| logD: | 4.9341 |
| logSw: | -5.1237 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.189 |
| InChI Key: | UDVUBPIPRFJEDY-KRWDZBQOSA-N |