rel-(3aR,6aS)-1-[(2-chlorophenyl)methyl]-3-(2,5-dimethylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-[(2-chlorophenyl)methyl]-3-(2,5-dimethylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-[(2-chlorophenyl)methyl]-3-(2,5-dimethylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | G012-0484 |
| Compound Name: | rel-(3aR,6aS)-1-[(2-chlorophenyl)methyl]-3-(2,5-dimethylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 404.91 |
| Molecular Formula: | C20 H21 Cl N2 O3 S |
| Smiles: | Cc1ccc(C)c(c1)N1C(N(Cc2ccccc2[Cl])[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 3.7204 |
| logD: | 3.7204 |
| logSw: | -3.8317 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.272 |
| InChI Key: | SGMSIMFBJUZYLI-UHFFFAOYSA-N |