4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-[4-(trifluoromethoxy)phenyl]benzamide
Chemical Structure Depiction of
4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-[4-(trifluoromethoxy)phenyl]benzamide
4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-[4-(trifluoromethoxy)phenyl]benzamide
Compound characteristics
| Compound ID: | K248-0301 |
| Compound Name: | 4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-[4-(trifluoromethoxy)phenyl]benzamide |
| Molecular Weight: | 471.48 |
| Molecular Formula: | C19 H16 F3 N3 O4 S2 |
| Smiles: | C1[C@@H]2[C@H](CS1(=O)=O)SC(Nc1ccc(cc1)C(Nc1ccc(cc1)OC(F)(F)F)=O)=N2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6278 |
| logD: | 3.6274 |
| logSw: | -4.0168 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.369 |
| InChI Key: | MCXMKCYFBAHMPF-UHFFFAOYSA-N |