N-[rel-(2E,3aR,6aR)-3-(2-ethylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-2-methylpropanamide
Chemical Structure Depiction of
N-[rel-(2E,3aR,6aR)-3-(2-ethylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-2-methylpropanamide
N-[rel-(2E,3aR,6aR)-3-(2-ethylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-2-methylpropanamide
Compound characteristics
| Compound ID: | D128-0035 |
| Compound Name: | N-[rel-(2E,3aR,6aR)-3-(2-ethylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-2-methylpropanamide |
| Molecular Weight: | 366.5 |
| Molecular Formula: | C17 H22 N2 O3 S2 |
| Smiles: | CCc1ccccc1N1\C(=N/C(C(C)C)=O)S[C@H]2CS(C[C@@H]12)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5495 |
| logD: | 2.5495 |
| logSw: | -2.6236 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.6 |
| InChI Key: | RAYFDGAOQZDYMO-UHFFFAOYSA-N |