2-[rel-(3aR,6aS)-3-(4-ethylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-[rel-(3aR,6aS)-3-(4-ethylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]-N-(4-methylphenyl)acetamide
2-[rel-(3aR,6aS)-3-(4-ethylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | G012-0063 |
| Compound Name: | 2-[rel-(3aR,6aS)-3-(4-ethylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C22 H25 N3 O4 S |
| Smiles: | CCc1ccc(cc1)N1C(N(CC(Nc2ccc(C)cc2)=O)[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9743 |
| logD: | 2.9742 |
| logSw: | -3.3566 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.722 |
| InChI Key: | KVYCEJCUNNVMLS-UHFFFAOYSA-N |