(2E)-2-[2-(octahydroquinolin-1(2H)-yl)-2-oxoethylidene]-4-{[3-(trifluoromethyl)phenyl]methyl}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
(2E)-2-[2-(octahydroquinolin-1(2H)-yl)-2-oxoethylidene]-4-{[3-(trifluoromethyl)phenyl]methyl}-2H-1,4-benzothiazin-3(4H)-one
(2E)-2-[2-(octahydroquinolin-1(2H)-yl)-2-oxoethylidene]-4-{[3-(trifluoromethyl)phenyl]methyl}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | V011-3214 |
| Compound Name: | (2E)-2-[2-(octahydroquinolin-1(2H)-yl)-2-oxoethylidene]-4-{[3-(trifluoromethyl)phenyl]methyl}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 500.58 |
| Molecular Formula: | C27 H27 F3 N2 O2 S |
| Smiles: | C1CCC2C(C1)CCCN2C(\C=C1/C(N(Cc2cccc(c2)C(F)(F)F)c2ccccc2S1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6472 |
| logD: | 5.6472 |
| logSw: | -5.9063 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.6721 |
| InChI Key: | FHCKFLBIWSAMNO-UHFFFAOYSA-N |