N-[rel-(2E,3aR,6aR)-5,5-dioxo-3-(1-phenylethyl)hexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]butanamide
Chemical Structure Depiction of
N-[rel-(2E,3aR,6aR)-5,5-dioxo-3-(1-phenylethyl)hexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]butanamide
N-[rel-(2E,3aR,6aR)-5,5-dioxo-3-(1-phenylethyl)hexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]butanamide
Compound characteristics
| Compound ID: | D128-0355 |
| Compound Name: | N-[rel-(2E,3aR,6aR)-5,5-dioxo-3-(1-phenylethyl)hexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]butanamide |
| Molecular Weight: | 366.5 |
| Molecular Formula: | C17 H22 N2 O3 S2 |
| Smiles: | CCCC(/N=C1\N(C(C)c2ccccc2)[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5043 |
| logD: | 2.5043 |
| logSw: | -2.556 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.64 |
| InChI Key: | HVYUWHCEOXWNOC-UHFFFAOYSA-N |