N-[rel-(2E,3aR,6aR)-3-(2-methoxy-5-methylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-2,2-dimethylpropanamide
Chemical Structure Depiction of
N-[rel-(2E,3aR,6aR)-3-(2-methoxy-5-methylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-2,2-dimethylpropanamide
N-[rel-(2E,3aR,6aR)-3-(2-methoxy-5-methylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-2,2-dimethylpropanamide
Compound characteristics
Compound ID: | D128-0512 |
Compound Name: | N-[rel-(2E,3aR,6aR)-3-(2-methoxy-5-methylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-2,2-dimethylpropanamide |
Molecular Weight: | 396.53 |
Molecular Formula: | C18 H24 N2 O4 S2 |
Smiles: | Cc1ccc(c(c1)N1\C(=N/C(C(C)(C)C)=O)S[C@H]2CS(C[C@@H]12)(=O)=O)OC |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 2.4687 |
logD: | 2.4687 |
logSw: | -2.6933 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 61.231 |
InChI Key: | ZDNWVRPQTKYTGT-UHFFFAOYSA-N |