N-(3-chloro-4-methylphenyl)-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
N-(3-chloro-4-methylphenyl)-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Compound characteristics
| Compound ID: | E019-0982 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-4-(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: | CC1c2c(C(N(CCCC(Nc3ccc(C)c(c3)[Cl])=O)N=1)=O)c1ccccc1s2 |
| Stereo: | ACHIRAL |
| logP: | 4.9367 |
| logD: | 4.9363 |
| logSw: | -5.0904 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.514 |
| InChI Key: | YZXTWPCTVCOMEE-UHFFFAOYSA-N |