N-[rel-(2E,3aR,6aR)-3-(2-bromo-4,5-diethoxyphenyl)-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-bromo-4,5-diethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]acetamide
N-[rel-(2E,3aR,6aR)-3-(2-bromo-4,5-diethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]acetamide
Compound characteristics
| Compound ID: | D128-0080 |
| Compound Name: | N-[rel-(2E,3aR,6aR)-3-(2-bromo-4,5-diethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]acetamide |
| Molecular Weight: | 477.39 |
| Molecular Formula: | C17 H21 Br N2 O5 S2 |
| Smiles: | CCOc1cc(c(cc1OCC)[Br])N1\C(=N/C(C)=O)S[C@H]2CS(C[C@@H]12)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4793 |
| logD: | 1.4793 |
| logSw: | -1.8704 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.92 |
| InChI Key: | BPPNLFQGQZAVDO-UHFFFAOYSA-N |