rel-(3aR,6aS)-1-[(2,5-dimethylphenyl)methyl]-3-(4-ethoxyphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-[(2,5-dimethylphenyl)methyl]-3-(4-ethoxyphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-[(2,5-dimethylphenyl)methyl]-3-(4-ethoxyphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | G012-0265 |
| Compound Name: | rel-(3aR,6aS)-1-[(2,5-dimethylphenyl)methyl]-3-(4-ethoxyphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 414.52 |
| Molecular Formula: | C22 H26 N2 O4 S |
| Smiles: | CCOc1ccc(cc1)N1C(N(Cc2cc(C)ccc2C)[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6066 |
| logD: | 3.6066 |
| logSw: | -3.538 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.697 |
| InChI Key: | WDKPOBVGUDJPGB-UHFFFAOYSA-N |