N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Chemical Structure Depiction of
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Compound characteristics
| Compound ID: | C799-0407 |
| Compound Name: | N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C25 H27 N3 O4 S |
| Smiles: | CCC(C(NCc1ccc(c(c1)OC)OCC)=O)N1C(c2c3ccccc3sc2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2999 |
| logD: | 4.2999 |
| logSw: | -4.3898 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.03 |
| InChI Key: | QQHJTJSVYWWUII-SFHVURJKSA-N |