methyl (2E,5RS)-5-methyl-1-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-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,5RS)-5-methyl-1-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
methyl (2E,5RS)-5-methyl-1-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
Compound characteristics
| Compound ID: | 8015-2832 |
| Compound Name: | methyl (2E,5RS)-5-methyl-1-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate |
| Molecular Weight: | 474.46 |
| Molecular Formula: | C23 H17 F3 N2 O4 S |
| Smiles: | C[C@]12C(C(c3ccccc3O2)N2C(=N1)SC(=C\c1ccc(cc1)C(F)(F)F)\C2=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6189 |
| logD: | 4.4245 |
| logSw: | -4.6203 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.567 |
| InChI Key: | VUAAVCRHCIHOHE-IRZJEQJZSA-N |