4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-2255 |
| Compound Name: | 4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 558.02 |
| Molecular Formula: | C28 H23 Cl F3 N3 O2 S |
| Smiles: | C1CN(CCN1C(CN1C(/C(=C\c2ccc(cc2)C(F)(F)F)Sc2ccccc12)=O)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.0708 |
| logD: | 6.0707 |
| logSw: | -6.3491 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.722 |
| InChI Key: | XJNGTBPQPLOJJE-UHFFFAOYSA-N |