rel-(3aR,6aS)-1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | 5769-0236 |
| Compound Name: | rel-(3aR,6aS)-1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 427.3 |
| Molecular Formula: | C18 H16 Cl2 N2 O4 S |
| Smiles: | COc1cccc(c1)N1C(N(c2ccc(c(c2)[Cl])[Cl])[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3643 |
| logD: | 3.3643 |
| logSw: | -3.5608 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.505 |
| InChI Key: | UPTKTRUCQNJEQM-UHFFFAOYSA-N |