4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-2103 |
| Compound Name: | 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 523.58 |
| Molecular Formula: | C28 H24 F3 N3 O2 S |
| Smiles: | C1CN(CCN1C(CN1C(/C(=C/c2ccc(cc2)C(F)(F)F)Sc2ccccc12)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4871 |
| logD: | 5.4871 |
| logSw: | -5.8674 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.722 |
| InChI Key: | XLKVAVVTQFELBX-UHFFFAOYSA-N |