4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
Chemical Structure Depiction of
4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
Compound characteristics
| Compound ID: | E019-0924 |
| Compound Name: | 4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)-N-[3-(trifluoromethyl)phenyl]butanamide |
| Molecular Weight: | 445.46 |
| Molecular Formula: | C22 H18 F3 N3 O2 S |
| Smiles: | CC1c2c(C(N(CCCC(Nc3cccc(c3)C(F)(F)F)=O)N=1)=O)c1ccccc1s2 |
| Stereo: | ACHIRAL |
| logP: | 4.5897 |
| logD: | 4.5889 |
| logSw: | -4.4464 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.514 |
| InChI Key: | NXWVCRPFMFTUMC-UHFFFAOYSA-N |