methyl (2E)-2-[(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)methylidene]-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
Chemical Structure Depiction of
methyl (2E)-2-[(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)methylidene]-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
methyl (2E)-2-[(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)methylidene]-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
Compound characteristics
| Compound ID: | Y501-9843 |
| Compound Name: | methyl (2E)-2-[(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)methylidene]-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate |
| Molecular Weight: | 610.61 |
| Molecular Formula: | C31 H25 F3 N2 O6 S |
| Smiles: | CC12C(C(c3ccccc3O2)N2C(=N1)SC(=C\c1ccc(c(COc3cccc(c3)C(F)(F)F)c1)OC)\C2=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.889 |
| logD: | 5.6946 |
| logSw: | -5.7068 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.424 |
| InChI Key: | VSVYPMWAOSIXJZ-UHFFFAOYSA-N |