N-[rel-(2E,3aR,6aR)-3-(4-butylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-2-methylpropanamide
Chemical Structure Depiction of
N-[rel-(2E,3aR,6aR)-3-(4-butylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-2-methylpropanamide
N-[rel-(2E,3aR,6aR)-3-(4-butylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-2-methylpropanamide
Compound characteristics
| Compound ID: | D128-0214 |
| Compound Name: | N-[rel-(2E,3aR,6aR)-3-(4-butylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-2-methylpropanamide |
| Molecular Weight: | 394.55 |
| Molecular Formula: | C19 H26 N2 O3 S2 |
| Smiles: | CCCCc1ccc(cc1)N1\C(=N/C(C(C)C)=O)S[C@H]2CS(C[C@@H]12)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6296 |
| logD: | 3.6296 |
| logSw: | -3.7045 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.901 |
| InChI Key: | AEAODYJICOXTLQ-UHFFFAOYSA-N |