4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-1985 |
| Compound Name: | 4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 553.6 |
| Molecular Formula: | C29 H26 F3 N3 O3 S |
| Smiles: | COc1ccccc1N1CCN(CC1)C(CN1C(/C(=C/c2ccc(cc2)C(F)(F)F)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4879 |
| logD: | 5.4875 |
| logSw: | -5.5301 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.052 |
| InChI Key: | SWUXRDACXQTSPD-UHFFFAOYSA-N |