N-[rel-(2Z,3aR,6aR)-3-(2-ethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide
Chemical Structure Depiction of
N-[rel-(2Z,3aR,6aR)-3-(2-ethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide
N-[rel-(2Z,3aR,6aR)-3-(2-ethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide
Compound characteristics
| Compound ID: | D128-0615 |
| Compound Name: | N-[rel-(2Z,3aR,6aR)-3-(2-ethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C18 H24 N2 O4 S2 |
| Smiles: | CCOc1ccccc1N1/C(=N/C(CC(C)C)=O)S[C@H]2CS(C[C@@H]12)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5002 |
| logD: | 2.5002 |
| logSw: | -2.6814 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.597 |
| InChI Key: | QEFMWERYKXKPEQ-UHFFFAOYSA-N |