4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(2-fluorophenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(2-fluorophenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(2-fluorophenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-2146 |
| Compound Name: | 4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(2-fluorophenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 501.62 |
| Molecular Formula: | C29 H28 F N3 O2 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CN1C(/C(=C/c2ccccc2F)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9684 |
| logD: | 5.9683 |
| logSw: | -5.446 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.421 |
| InChI Key: | XCNQODFYSPLTAT-UHFFFAOYSA-N |