rel-(3aR,6aS)-1-(4-bromophenyl)-3-(2-methylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-(4-bromophenyl)-3-(2-methylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-(4-bromophenyl)-3-(2-methylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | D110-0062 |
| Compound Name: | rel-(3aR,6aS)-1-(4-bromophenyl)-3-(2-methylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 421.31 |
| Molecular Formula: | C18 H17 Br N2 O3 S |
| Smiles: | Cc1ccccc1N1C(N(c2ccc(cc2)[Br])[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 3.1361 |
| logD: | 3.1361 |
| logSw: | -3.3609 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.661 |
| InChI Key: | IFRSAGIAFSWZDM-UHFFFAOYSA-N |