rel-(3aR,6aS)-1-[3-(methylsulfanyl)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-[3-(methylsulfanyl)phenyl]-3-{[3-(trifluoromethyl)phenyl]methyl}tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-[3-(methylsulfanyl)phenyl]-3-{[3-(trifluoromethyl)phenyl]methyl}tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | G012-0047 |
| Compound Name: | rel-(3aR,6aS)-1-[3-(methylsulfanyl)phenyl]-3-{[3-(trifluoromethyl)phenyl]methyl}tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C20 H19 F3 N2 O3 S2 |
| Smiles: | CSc1cccc(c1)N1C(N(Cc2cccc(c2)C(F)(F)F)[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0572 |
| logD: | 3.0572 |
| logSw: | -3.4321 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.573 |
| InChI Key: | MRXRQYJWOHSYAE-UHFFFAOYSA-N |