N-[(5-bromo-2-methoxyphenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)acetamide
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | E019-0295 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)acetamide |
| Molecular Weight: | 472.36 |
| Molecular Formula: | C21 H18 Br N3 O3 S |
| Smiles: | CC1c2c(C(N(CC(NCc3cc(ccc3OC)[Br])=O)N=1)=O)c1ccccc1s2 |
| Stereo: | ACHIRAL |
| logP: | 4.2647 |
| logD: | 4.2647 |
| logSw: | -4.5166 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.489 |
| InChI Key: | BWGBIXINBUOKEV-UHFFFAOYSA-N |