N-[(3-bromophenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)acetamide
N-[(3-bromophenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | E019-0287 |
| Compound Name: | N-[(3-bromophenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)acetamide |
| Molecular Weight: | 442.33 |
| Molecular Formula: | C20 H16 Br N3 O2 S |
| Smiles: | CC1c2c(C(N(CC(NCc3cccc(c3)[Br])=O)N=1)=O)c1ccccc1s2 |
| Stereo: | ACHIRAL |
| logP: | 4.1243 |
| logD: | 4.1243 |
| logSw: | -4.4569 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.858 |
| InChI Key: | CYGMYVQZBQZHHH-UHFFFAOYSA-N |