N-[(2-bromophenyl)methyl]-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Chemical Structure Depiction of
N-[(2-bromophenyl)methyl]-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
N-[(2-bromophenyl)methyl]-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Compound characteristics
| Compound ID: | E019-1137 |
| Compound Name: | N-[(2-bromophenyl)methyl]-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide |
| Molecular Weight: | 470.39 |
| Molecular Formula: | C22 H20 Br N3 O2 S |
| Smiles: | CC1c2c(C(N(CCCC(NCc3ccccc3[Br])=O)N=1)=O)c1ccccc1s2 |
| Stereo: | ACHIRAL |
| logP: | 4.1188 |
| logD: | 4.1187 |
| logSw: | -4.2342 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.837 |
| InChI Key: | YOPQPIXELYGVBG-UHFFFAOYSA-N |