N-[rel-(2E,3aR,6aR)-5,5-dioxo-3-(2-phenylethyl)hexahydro-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-(2-phenylethyl)hexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide
N-[rel-(2E,3aR,6aR)-5,5-dioxo-3-(2-phenylethyl)hexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide
Compound characteristics
| Compound ID: | D128-0609 |
| Compound Name: | N-[rel-(2E,3aR,6aR)-5,5-dioxo-3-(2-phenylethyl)hexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide |
| Molecular Weight: | 380.53 |
| Molecular Formula: | C18 H24 N2 O3 S2 |
| Smiles: | CC(C)CC(/N=C1\N(CCc2ccccc2)[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6265 |
| logD: | 2.6265 |
| logSw: | -2.9154 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.278 |
| InChI Key: | GLGLDJBTKYPSCX-UHFFFAOYSA-N |