rel-(3aR,6aR)-2-{[(4-ethenylphenyl)methyl](4-ethoxyphenyl)amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Chemical Structure Depiction of
rel-(3aR,6aR)-2-{[(4-ethenylphenyl)methyl](4-ethoxyphenyl)amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
rel-(3aR,6aR)-2-{[(4-ethenylphenyl)methyl](4-ethoxyphenyl)amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Compound characteristics
| Compound ID: | C998-0469 |
| Compound Name: | rel-(3aR,6aR)-2-{[(4-ethenylphenyl)methyl](4-ethoxyphenyl)amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 428.57 |
| Molecular Formula: | C22 H24 N2 O3 S2 |
| Smiles: | CCOc1ccc(cc1)N(Cc1ccc(C=C)cc1)C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.4247 |
| logD: | 4.4246 |
| logSw: | -4.174 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.139 |
| InChI Key: | DFYLFUSEHAYKIH-UHFFFAOYSA-N |