N-[rel-(2E,3aR,6aR)-3-(3-chloro-4-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-(3-chloro-4-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-(3-chloro-4-methylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-2,2-dimethylpropanamide
Compound characteristics
| Compound ID: | D128-0514 |
| Compound Name: | N-[rel-(2E,3aR,6aR)-3-(3-chloro-4-methylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-2,2-dimethylpropanamide |
| Molecular Weight: | 400.94 |
| Molecular Formula: | C17 H21 Cl N2 O3 S2 |
| Smiles: | Cc1ccc(cc1[Cl])N1\C(=N/C(C(C)(C)C)=O)S[C@H]2CS(C[C@@H]12)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3925 |
| logD: | 3.3925 |
| logSw: | -3.6265 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.901 |
| InChI Key: | DBVSVBPKBQHAMV-UHFFFAOYSA-N |