rel-(3aR,6aS)-1-(3-bromophenyl)-3-(3-methylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-(3-bromophenyl)-3-(3-methylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-(3-bromophenyl)-3-(3-methylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | D110-0044 |
| Compound Name: | rel-(3aR,6aS)-1-(3-bromophenyl)-3-(3-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: | Cc1cccc(c1)N1C(N(c2cccc(c2)[Br])[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1535 |
| logD: | 3.1535 |
| logSw: | -3.2085 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.962 |
| InChI Key: | KWNCWKOSRRULPN-UHFFFAOYSA-N |