N-(3-chloro-4-methoxyphenyl)-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
N-(3-chloro-4-methoxyphenyl)-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Compound characteristics
| Compound ID: | E019-1046 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-4-(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: | CC1c2c(C(N(CCCC(Nc3ccc(c(c3)[Cl])OC)=O)N=1)=O)c1ccccc1s2 |
| Stereo: | ACHIRAL |
| logP: | 4.0571 |
| logD: | 4.0566 |
| logSw: | -4.6396 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.145 |
| InChI Key: | PRHTUZLYZYTLPP-UHFFFAOYSA-N |