N-(5-chloro-2-methylphenyl)-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
N-(5-chloro-2-methylphenyl)-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Compound characteristics
| Compound ID: | E019-0952 |
| Compound Name: | N-(5-chloro-2-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(Nc3cc(ccc3C)[Cl])=O)N=1)=O)c1ccccc1s2 |
| Stereo: | ACHIRAL |
| logP: | 4.0036 |
| logD: | 4.0032 |
| logSw: | -4.6296 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.817 |
| InChI Key: | HXVKWEBQIXEDLV-UHFFFAOYSA-N |