N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Compound characteristics
| Compound ID: | E019-1051 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide |
| Molecular Weight: | 479.91 |
| Molecular Formula: | C22 H17 Cl F3 N3 O2 S |
| Smiles: | CC1c2c(C(N(CCCC(Nc3cc(ccc3[Cl])C(F)(F)F)=O)N=1)=O)c1ccccc1s2 |
| Stereo: | ACHIRAL |
| logP: | 4.7714 |
| logD: | 4.7119 |
| logSw: | -5.0578 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.817 |
| InChI Key: | LCLDSGQMFAEGCL-UHFFFAOYSA-N |