rel-(3aR,6aS)-1-(2,3-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-(2,3-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-(2,3-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | D110-0104 |
| Compound Name: | rel-(3aR,6aS)-1-(2,3-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 424.44 |
| Molecular Formula: | C20 H19 F3 N2 O3 S |
| Smiles: | Cc1cccc(c1C)N1C(N(c2cccc(c2)C(F)(F)F)[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.684 |
| logD: | 3.684 |
| logSw: | -4.0913 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.661 |
| InChI Key: | KFSWCBFBNVXPGK-UHFFFAOYSA-N |