N~2~-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N-phenyl-N~2~-[3-(trifluoromethyl)phenyl]glycinamide
Chemical Structure Depiction of
N~2~-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N-phenyl-N~2~-[3-(trifluoromethyl)phenyl]glycinamide
N~2~-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N-phenyl-N~2~-[3-(trifluoromethyl)phenyl]glycinamide
Compound characteristics
| Compound ID: | K248-0295 |
| Compound Name: | N~2~-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N-phenyl-N~2~-[3-(trifluoromethyl)phenyl]glycinamide |
| Molecular Weight: | 469.5 |
| Molecular Formula: | C20 H18 F3 N3 O3 S2 |
| Smiles: | C(C(Nc1ccccc1)=O)N(C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.507 |
| logD: | 3.507 |
| logSw: | -3.9183 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.165 |
| InChI Key: | UTZKOWXHWWTNEK-UHFFFAOYSA-N |