N-[(2-bromophenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)propanamide
Chemical Structure Depiction of
N-[(2-bromophenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)propanamide
N-[(2-bromophenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)propanamide
Compound characteristics
| Compound ID: | E019-0576 |
| Compound Name: | N-[(2-bromophenyl)methyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)propanamide |
| Molecular Weight: | 456.36 |
| Molecular Formula: | C21 H18 Br N3 O2 S |
| Smiles: | CC(C(NCc1ccccc1[Br])=O)N1C(c2c3ccccc3sc2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4542 |
| logD: | 4.4542 |
| logSw: | -4.3755 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.605 |
| InChI Key: | ZIQYGVOFKCLOCD-ZDUSSCGKSA-N |