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-{2-[3-(trifluoromethyl)phenoxy]ethyl}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-{2-[3-(trifluoromethyl)phenoxy]ethyl}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-{2-[3-(trifluoromethyl)phenoxy]ethyl}benzamide
Compound characteristics
| Compound ID: | K248-0187 |
| 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-{2-[3-(trifluoromethyl)phenoxy]ethyl}benzamide |
| Molecular Weight: | 499.53 |
| Molecular Formula: | C21 H20 F3 N3 O4 S2 |
| Smiles: | C(COc1cccc(c1)C(F)(F)F)NC(c1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3178 |
| logD: | 3.3177 |
| logSw: | -3.8053 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.014 |
| InChI Key: | QSOUYFRPXOBZCU-ZWKOTPCHSA-N |