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~2~-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)glycinamide
Chemical Structure Depiction of
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~2~-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)glycinamide
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~2~-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)glycinamide
Compound characteristics
| Compound ID: | C998-0504 |
| Compound Name: | 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~2~-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)glycinamide |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C22 H24 F N3 O4 S2 |
| Smiles: | CCOc1ccc(cc1)N(CC(Nc1ccc(C)c(c1)F)=O)C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.8859 |
| logD: | 3.8856 |
| logSw: | -3.8641 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.288 |
| InChI Key: | ICMMBHVRWCAAMJ-UHFFFAOYSA-N |