rel-(3aR,6aS)-1-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | D110-0194 |
| Compound Name: | rel-(3aR,6aS)-1-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 406.89 |
| Molecular Formula: | C19 H19 Cl N2 O4 S |
| Smiles: | Cc1ccc(cc1[Cl])N1C(N(c2ccc(cc2)OC)[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0836 |
| logD: | 3.0836 |
| logSw: | -3.3775 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.505 |
| InChI Key: | KUYYHNKNPBHHQP-UHFFFAOYSA-N |