4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-2112 |
| Compound Name: | 4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 525.55 |
| Molecular Formula: | C26 H22 F3 N5 O2 S |
| Smiles: | C1CN(CCN1C(CN1C(/C(=C/c2ccc(cc2)C(F)(F)F)Sc2ccccc12)=O)=O)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 4.6518 |
| logD: | 4.6518 |
| logSw: | -4.6412 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.085 |
| InChI Key: | OHHGRTGTKDZRID-UHFFFAOYSA-N |