N-[(2H-1,3-benzodioxol-5-yl)methyl]-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)methyl]-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Compound characteristics
| Compound ID: | E019-0978 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C23 H21 N3 O4 S |
| Smiles: | CC1c2c(C(N(CCCC(NCc3ccc4c(c3)OCO4)=O)N=1)=O)c1ccccc1s2 |
| Stereo: | ACHIRAL |
| logP: | 3.1598 |
| logD: | 3.1598 |
| logSw: | -3.3541 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.952 |
| InChI Key: | WGBPHGXHFFAHPT-UHFFFAOYSA-N |