(2E)-13-acetyl-2-[(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)methylidene]-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
Chemical Structure Depiction of
(2E)-13-acetyl-2-[(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)methylidene]-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
(2E)-13-acetyl-2-[(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)methylidene]-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
Compound characteristics
| Compound ID: | Y501-9844 |
| Compound Name: | (2E)-13-acetyl-2-[(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)methylidene]-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one |
| Molecular Weight: | 594.61 |
| Molecular Formula: | C31 H25 F3 N2 O5 S |
| Smiles: | CC(C1C2c3ccccc3OC1(C)N=C1N2C(/C(=C\c2ccc(c(COc3cccc(c3)C(F)(F)F)c2)OC)S1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8705 |
| logD: | 5.8136 |
| logSw: | -5.7384 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.077 |
| InChI Key: | GRAMEUXBIZAQCM-UHFFFAOYSA-N |