4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-2254 |
| Compound Name: | 4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 551.63 |
| Molecular Formula: | C30 H28 F3 N3 O2 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CN1C(/C(=C\c2ccc(cc2)C(F)(F)F)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6451 |
| logD: | 6.645 |
| logSw: | -5.6393 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.421 |
| InChI Key: | UJXNOJOMCFSIIQ-UHFFFAOYSA-N |