ethyl 5-phenyl-2-[2,2,6-trimethyl-3-sulfanylidene-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4-carboxylate
Chemical Structure Depiction of
ethyl 5-phenyl-2-[2,2,6-trimethyl-3-sulfanylidene-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4-carboxylate
ethyl 5-phenyl-2-[2,2,6-trimethyl-3-sulfanylidene-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4-carboxylate
Compound characteristics
| Compound ID: | Y500-0633 |
| Compound Name: | ethyl 5-phenyl-2-[2,2,6-trimethyl-3-sulfanylidene-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4-carboxylate |
| Molecular Weight: | 549.65 |
| Molecular Formula: | C26 H22 F3 N O3 S3 |
| Smiles: | CCOC(C1=C(c2ccccc2)S/C(=C2C(C(C)(C)N(C(C(F)(F)F)=O)c3ccc(C)cc\23)=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0374 |
| logD: | 7.0374 |
| logSw: | -5.7419 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 35.188 |
| InChI Key: | YCABWCLNWAWUFX-UHFFFAOYSA-N |