N~2~-(3,5-dimethylphenyl)-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-(4-fluorophenyl)glycinamide
Chemical Structure Depiction of
N~2~-(3,5-dimethylphenyl)-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-(4-fluorophenyl)glycinamide
N~2~-(3,5-dimethylphenyl)-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-(4-fluorophenyl)glycinamide
Compound characteristics
| Compound ID: | C998-0205 |
| Compound Name: | N~2~-(3,5-dimethylphenyl)-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-(4-fluorophenyl)glycinamide |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C21 H22 F N3 O3 S2 |
| Smiles: | Cc1cc(C)cc(c1)N(CC(Nc1ccc(cc1)F)=O)C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.8821 |
| logD: | 3.8818 |
| logSw: | -3.9104 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.165 |
| InChI Key: | MRBOBBGOFWTKQP-UHFFFAOYSA-N |