rel-(3aR,6aS)-1-(3,5-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-(3,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-(3,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | D110-0130 |
| Compound Name: | rel-(3aR,6aS)-1-(3,5-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: | Cc1cc(C)cc(c1)N1C(N(c2cccc(c2)C(F)(F)F)[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 3.7776 |
| logD: | 3.7776 |
| logSw: | -3.9871 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.962 |
| InChI Key: | NXSDUPOAHXQLQH-UHFFFAOYSA-N |