2-[(3,4-dimethoxyphenyl)methylidene]-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-[(3,4-dimethoxyphenyl)methylidene]-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-2H-1,4-benzothiazin-3(4H)-one
2-[(3,4-dimethoxyphenyl)methylidene]-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-8865 |
| Compound Name: | 2-[(3,4-dimethoxyphenyl)methylidene]-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 569.6 |
| Molecular Formula: | C29 H26 F3 N3 O4 S |
| Smiles: | COc1ccc(\C=C2/C(Nc3cc(ccc3S2)C(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.9423 |
| logD: | 4.9423 |
| logSw: | -4.6952 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.014 |
| InChI Key: | NKJFTCQWVZKAIT-UHFFFAOYSA-N |