rel-(3aR,6aS)-1-phenyl-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-phenyl-3-{[3-(trifluoromethyl)phenyl]methyl}tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-phenyl-3-{[3-(trifluoromethyl)phenyl]methyl}tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | G012-0539 |
| Compound Name: | rel-(3aR,6aS)-1-phenyl-3-{[3-(trifluoromethyl)phenyl]methyl}tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 410.41 |
| Molecular Formula: | C19 H17 F3 N2 O3 S |
| Smiles: | C(c1cccc(c1)C(F)(F)F)N1C(N(c2ccccc2)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4923 |
| logD: | 2.4923 |
| logSw: | -2.8728 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.573 |
| InChI Key: | FADLGZQNIUMNRI-UHFFFAOYSA-N |