rel-(3aR,6aS)-1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | D110-0098 |
| Compound Name: | rel-(3aR,6aS)-1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 374.43 |
| Molecular Formula: | C19 H19 F N2 O3 S |
| Smiles: | Cc1cccc(c1C)N1C(N(c2ccc(cc2)F)[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8413 |
| logD: | 2.8413 |
| logSw: | -3.2512 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.661 |
| InChI Key: | RVLVENIEXQGBQE-UHFFFAOYSA-N |