rel-(3aR,6aS)-1-(3,4-dimethylphenyl)-3-(3-methylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-(3,4-dimethylphenyl)-3-(3-methylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-(3,4-dimethylphenyl)-3-(3-methylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | D110-0113 |
| Compound Name: | rel-(3aR,6aS)-1-(3,4-dimethylphenyl)-3-(3-methylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C20 H22 N2 O3 S |
| Smiles: | Cc1cccc(c1)N1C(N(c2ccc(C)c(C)c2)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4925 |
| logD: | 3.4925 |
| logSw: | -3.6169 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.962 |
| InChI Key: | ZOFZRAZWDDPTTG-UHFFFAOYSA-N |