N~2~-(3-chlorophenyl)-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-[3-(trifluoromethyl)phenyl]glycinamide
Chemical Structure Depiction of
N~2~-(3-chlorophenyl)-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-[3-(trifluoromethyl)phenyl]glycinamide
N~2~-(3-chlorophenyl)-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-[3-(trifluoromethyl)phenyl]glycinamide
Compound characteristics
| Compound ID: | K248-0293 |
| Compound Name: | N~2~-(3-chlorophenyl)-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-[3-(trifluoromethyl)phenyl]glycinamide |
| Molecular Weight: | 503.95 |
| Molecular Formula: | C20 H17 Cl F3 N3 O3 S2 |
| Smiles: | C(C(Nc1cccc(c1)C(F)(F)F)=O)N(C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)c1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.5249 |
| logD: | 4.5241 |
| logSw: | -4.5998 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.165 |
| InChI Key: | DZEDTRWNOZUKKH-UHFFFAOYSA-N |