N-[rel-(2E,3aR,6aR)-3-(2-ethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]acetamide
Chemical Structure Depiction of
N-[rel-(2E,3aR,6aR)-3-(2-ethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]acetamide
N-[rel-(2E,3aR,6aR)-3-(2-ethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]acetamide
Compound characteristics
| Compound ID: | D128-0176 |
| Compound Name: | N-[rel-(2E,3aR,6aR)-3-(2-ethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]acetamide |
| Molecular Weight: | 354.44 |
| Molecular Formula: | C15 H18 N2 O4 S2 |
| Smiles: | CCOc1ccccc1N1\C(=N/C(C)=O)S[C@H]2CS(C[C@@H]12)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1244 |
| logD: | 1.1244 |
| logSw: | -2.1385 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.71 |
| InChI Key: | AVTGQZNKFOOOSK-UHFFFAOYSA-N |