N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)propanamide
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)propanamide
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)propanamide
Compound characteristics
| Compound ID: | E019-0574 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)propanamide |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C23 H23 N3 O4 S |
| Smiles: | CC(C(NCc1ccc(c(c1)OC)OC)=O)N1C(c2c3ccccc3sc2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1971 |
| logD: | 3.1971 |
| logSw: | -3.4289 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.866 |
| InChI Key: | IDWPQSRHXGZYBB-AWEZNQCLSA-N |