N-[rel-(2E,3aR,6aR)-5,5-dioxo-3-phenylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide
Chemical Structure Depiction of
N-[rel-(2E,3aR,6aR)-5,5-dioxo-3-phenylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide
N-[rel-(2E,3aR,6aR)-5,5-dioxo-3-phenylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide
Compound characteristics
| Compound ID: | D128-0617 |
| Compound Name: | N-[rel-(2E,3aR,6aR)-5,5-dioxo-3-phenylhexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide |
| Molecular Weight: | 352.47 |
| Molecular Formula: | C16 H20 N2 O3 S2 |
| Smiles: | CC(C)CC(/N=C1\N(c2ccccc2)[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0102 |
| logD: | 2.0102 |
| logSw: | -2.456 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.688 |
| InChI Key: | JODBWCZJRQWQKS-UHFFFAOYSA-N |