N-[rel-(2E,3aR,6aR)-3-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]acetamide
N-[rel-(2E,3aR,6aR)-3-(2H-1,3-benzodioxol-5-yl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]acetamide
Compound characteristics
| Compound ID: | D128-0002 |
| Compound Name: | N-[rel-(2E,3aR,6aR)-3-(2H-1,3-benzodioxol-5-yl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]acetamide |
| Molecular Weight: | 354.4 |
| Molecular Formula: | C14 H14 N2 O5 S2 |
| Smiles: | CC(/N=C1\N(c2ccc3c(c2)OCO3)[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7269 |
| logD: | 0.7269 |
| logSw: | -2.1489 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.916 |
| InChI Key: | SURXTEWHRCUHEE-UHFFFAOYSA-N |