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-methyl-1H-pyrazol-5-yl)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-methyl-1H-pyrazol-5-yl)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-methyl-1H-pyrazol-5-yl)glycinamide
Compound characteristics
| Compound ID: | C998-0488 |
| 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-methyl-1H-pyrazol-5-yl)glycinamide |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C19 H23 N5 O4 S2 |
| Smiles: | CCOc1ccc(cc1)N(CC(Nc1cc(C)n[nH]1)=O)C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.705 |
| logD: | 1.704 |
| logSw: | -2.7082 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.423 |
| InChI Key: | GTXBQMTZOXPQGX-UHFFFAOYSA-N |