N-(2-bromophenyl)-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Chemical Structure Depiction of
N-(2-bromophenyl)-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
N-(2-bromophenyl)-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Compound characteristics
| Compound ID: | E019-0943 |
| Compound Name: | N-(2-bromophenyl)-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide |
| Molecular Weight: | 456.36 |
| Molecular Formula: | C21 H18 Br N3 O2 S |
| Smiles: | CC1c2c(C(N(CCCC(Nc3ccccc3[Br])=O)N=1)=O)c1ccccc1s2 |
| Stereo: | ACHIRAL |
| logP: | 3.8092 |
| logD: | 3.8092 |
| logSw: | -4.1642 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.817 |
| InChI Key: | VDEZYXKVJCUBKN-UHFFFAOYSA-N |