5-[(Z)-{(3aR*,6aR*)-5,5-dioxo-3-[2-(trifluoromethyl)phenyl]hexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}amino]-5-oxopentanoic acid
Chemical Structure Depiction of
5-[(Z)-{(3aR*,6aR*)-5,5-dioxo-3-[2-(trifluoromethyl)phenyl]hexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}amino]-5-oxopentanoic acid
5-[(Z)-{(3aR*,6aR*)-5,5-dioxo-3-[2-(trifluoromethyl)phenyl]hexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}amino]-5-oxopentanoic acid
Compound characteristics
| Compound ID: | D128-0138 |
| Compound Name: | 5-[(Z)-{(3aR*,6aR*)-5,5-dioxo-3-[2-(trifluoromethyl)phenyl]hexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}amino]-5-oxopentanoic acid |
| Molecular Weight: | 450.45 |
| Molecular Formula: | C17 H17 F3 N2 O5 S2 |
| Smiles: | C(CC(O)=O)CC(/N=C1/N(c2ccccc2C(F)(F)F)[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.141 |
| logD: | -1.4562 |
| logSw: | -2.2195 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.771 |
| InChI Key: | QSSVANJFJPZITM-UHFFFAOYSA-N |