N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Compound characteristics
| Compound ID: | E019-0766 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide |
| Molecular Weight: | 441.93 |
| Molecular Formula: | C22 H20 Cl N3 O3 S |
| Smiles: | CCC(C(Nc1ccc(c(c1)[Cl])OC)=O)N1C(c2c3ccccc3sc2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2494 |
| logD: | 5.2491 |
| logSw: | -5.9308 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.498 |
| InChI Key: | ROAACCIFCSZQAV-INIZCTEOSA-N |