4-[(Z)-{(3aR*,6aR*)-5,5-dioxo-3-[2-(trifluoromethyl)phenyl]hexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}amino]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[(Z)-{(3aR*,6aR*)-5,5-dioxo-3-[2-(trifluoromethyl)phenyl]hexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}amino]-4-oxobutanoic acid
4-[(Z)-{(3aR*,6aR*)-5,5-dioxo-3-[2-(trifluoromethyl)phenyl]hexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}amino]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | D128-0137 |
| Compound Name: | 4-[(Z)-{(3aR*,6aR*)-5,5-dioxo-3-[2-(trifluoromethyl)phenyl]hexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}amino]-4-oxobutanoic acid |
| Molecular Weight: | 436.43 |
| Molecular Formula: | C16 H15 F3 N2 O5 S2 |
| Smiles: | C(CC(/N=C1/N(c2ccccc2C(F)(F)F)[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9879 |
| logD: | -1.9615 |
| logSw: | -2.2296 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.771 |
| InChI Key: | WSTCUESNIBAYAD-UHFFFAOYSA-N |