2-[2-(octahydroquinolin-1(2H)-yl)-2-oxoethylidene]-6-(trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-[2-(octahydroquinolin-1(2H)-yl)-2-oxoethylidene]-6-(trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one
2-[2-(octahydroquinolin-1(2H)-yl)-2-oxoethylidene]-6-(trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | V015-6173 |
| Compound Name: | 2-[2-(octahydroquinolin-1(2H)-yl)-2-oxoethylidene]-6-(trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 410.46 |
| Molecular Formula: | C20 H21 F3 N2 O2 S |
| Smiles: | C1CCC2C(C1)CCCN2C(C=C1C(Nc2cc(ccc2S1)C(F)(F)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0677 |
| logD: | 4.0672 |
| logSw: | -4.2438 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.447 |
| InChI Key: | RYQWHLXNDGOOPJ-UHFFFAOYSA-N |