N-(2H-1,3-benzodioxol-5-yl)-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
N-(2H-1,3-benzodioxol-5-yl)-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Compound characteristics
| Compound ID: | E019-1012 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide |
| Molecular Weight: | 421.47 |
| Molecular Formula: | C22 H19 N3 O4 S |
| Smiles: | CC1c2c(C(N(CCCC(Nc3ccc4c(c3)OCO4)=O)N=1)=O)c1ccccc1s2 |
| Stereo: | ACHIRAL |
| logP: | 3.3796 |
| logD: | 3.3795 |
| logSw: | -3.7826 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.63 |
| InChI Key: | WEPNKFQCWVFHBB-UHFFFAOYSA-N |