N-[rel-(2E,3aR,6aR)-3-benzyl-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]butanamide
Chemical Structure Depiction of
N-[rel-(2E,3aR,6aR)-3-benzyl-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]butanamide
N-[rel-(2E,3aR,6aR)-3-benzyl-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]butanamide
Compound characteristics
| Compound ID: | D128-0096 |
| Compound Name: | N-[rel-(2E,3aR,6aR)-3-benzyl-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]butanamide |
| Molecular Weight: | 352.47 |
| Molecular Formula: | C16 H20 N2 O3 S2 |
| Smiles: | CCCC(/N=C1\N(Cc2ccccc2)[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9384 |
| logD: | 1.9384 |
| logSw: | -2.3112 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.299 |
| InChI Key: | WLPBEPHDACUUEX-UHFFFAOYSA-N |