rel-(3aR,6aS)-1-[(4-bromo-2-fluorophenyl)methyl]-3-[3-(methylsulfanyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-[(4-bromo-2-fluorophenyl)methyl]-3-[3-(methylsulfanyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-[(4-bromo-2-fluorophenyl)methyl]-3-[3-(methylsulfanyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | C200-4656 |
| Compound Name: | rel-(3aR,6aS)-1-[(4-bromo-2-fluorophenyl)methyl]-3-[3-(methylsulfanyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 485.39 |
| Molecular Formula: | C19 H18 Br F N2 O3 S2 |
| Smiles: | CSc1cccc(c1)N1C(N(Cc2ccc(cc2F)[Br])[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5795 |
| logD: | 3.5795 |
| logSw: | -3.7137 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.573 |
| InChI Key: | MZTBPJPJWYKOGM-UHFFFAOYSA-N |