2-[2-(azocan-1-yl)-2-oxoethylidene]-4-{[3-(trifluoromethyl)phenyl]methyl}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-[2-(azocan-1-yl)-2-oxoethylidene]-4-{[3-(trifluoromethyl)phenyl]methyl}-2H-1,4-benzothiazin-3(4H)-one
2-[2-(azocan-1-yl)-2-oxoethylidene]-4-{[3-(trifluoromethyl)phenyl]methyl}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | V030-8096 |
| Compound Name: | 2-[2-(azocan-1-yl)-2-oxoethylidene]-4-{[3-(trifluoromethyl)phenyl]methyl}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C25 H25 F3 N2 O2 S |
| Smiles: | C1CCCN(CCC1)C(\C=C1/C(N(Cc2cccc(c2)C(F)(F)F)c2ccccc2S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.036 |
| logD: | 6.036 |
| logSw: | -6.0186 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.793 |
| InChI Key: | FCWULHDXGXRJNE-UHFFFAOYSA-N |