3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-4-methyl-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}benzamide
Chemical Structure Depiction of
3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-4-methyl-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}benzamide
3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-4-methyl-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}benzamide
Compound characteristics
| Compound ID: | K248-0323 |
| Compound Name: | 3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-4-methyl-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}benzamide |
| Molecular Weight: | 513.56 |
| Molecular Formula: | C22 H22 F3 N3 O4 S2 |
| Smiles: | Cc1ccc(cc1NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)C(NCCOc1cccc(c1)C(F)(F)F)=O |
| Stereo: | RELATIVE |
| logP: | 3.6883 |
| logD: | 3.6883 |
| logSw: | -4.0257 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.316 |
| InChI Key: | QBZXYXWTJHSBSF-UHFFFAOYSA-N |