rel-(3aR,6aS)-1-(3,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-(3,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-(3,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | G012-0361 |
| Compound Name: | rel-(3aR,6aS)-1-(3,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 388.46 |
| Molecular Formula: | C20 H21 F N2 O3 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(N(Cc2ccc(cc2)F)[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.9608 |
| logD: | 2.9608 |
| logSw: | -3.1935 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.573 |
| InChI Key: | KBDHJEZHEMNHPV-UHFFFAOYSA-N |