N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Chemical Structure Depiction of
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Compound characteristics
| Compound ID: | E019-0836 |
| Compound Name: | N-[2-(2,5-dimethoxyphenyl)ethyl]-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(NCCc1cc(ccc1OC)OC)=O)N1C(c2c3ccccc3sc2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8624 |
| logD: | 4.8624 |
| logSw: | -4.8971 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.205 |
| InChI Key: | UWZXPGPLDJRVGP-IBGZPJMESA-N |