N-{rel-(2E,3aR,6aR)-3-[(2-chlorophenyl)methyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}acetamide
Chemical Structure Depiction of
N-{rel-(2E,3aR,6aR)-3-[(2-chlorophenyl)methyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}acetamide
N-{rel-(2E,3aR,6aR)-3-[(2-chlorophenyl)methyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}acetamide
Compound characteristics
| Compound ID: | D128-0101 |
| Compound Name: | N-{rel-(2E,3aR,6aR)-3-[(2-chlorophenyl)methyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}acetamide |
| Molecular Weight: | 358.86 |
| Molecular Formula: | C14 H15 Cl N2 O3 S2 |
| Smiles: | CC(/N=C1\N(Cc2ccccc2[Cl])[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6002 |
| logD: | 1.6002 |
| logSw: | -2.5251 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.412 |
| InChI Key: | HTPSJVGUTKSDNQ-UHFFFAOYSA-N |