2-[rel-(3aR,6aS)-3-(4-ethoxyphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[rel-(3aR,6aS)-3-(4-ethoxyphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]-N-[(4-methylphenyl)methyl]acetamide
2-[rel-(3aR,6aS)-3-(4-ethoxyphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G012-0238 |
| Compound Name: | 2-[rel-(3aR,6aS)-3-(4-ethoxyphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Smiles: | CCOc1ccc(cc1)N1C(N(CC(NCc2ccc(C)cc2)=O)[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9903 |
| logD: | 1.9903 |
| logSw: | -2.6724 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.168 |
| InChI Key: | HOMODDPANRILAA-UHFFFAOYSA-N |