rel-(3aR,6aS)-1-(4-ethylphenyl)-3-{[3-(trifluoromethyl)phenyl]methyl}tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-(4-ethylphenyl)-3-{[3-(trifluoromethyl)phenyl]methyl}tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-(4-ethylphenyl)-3-{[3-(trifluoromethyl)phenyl]methyl}tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | G012-0103 |
| Compound Name: | rel-(3aR,6aS)-1-(4-ethylphenyl)-3-{[3-(trifluoromethyl)phenyl]methyl}tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 438.47 |
| Molecular Formula: | C21 H21 F3 N2 O3 S |
| Smiles: | CCc1ccc(cc1)N1C(N(Cc2cccc(c2)C(F)(F)F)[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5445 |
| logD: | 3.5445 |
| logSw: | -3.8074 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.573 |
| InChI Key: | ZPUATEUBZLICQA-UHFFFAOYSA-N |