rel-(3aR,6aS)-1-[(2,5-dimethylphenyl)methyl]-3-[3-(methylsulfanyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-[(2,5-dimethylphenyl)methyl]-3-[3-(methylsulfanyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-[(2,5-dimethylphenyl)methyl]-3-[3-(methylsulfanyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | G012-0045 |
| Compound Name: | rel-(3aR,6aS)-1-[(2,5-dimethylphenyl)methyl]-3-[3-(methylsulfanyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 416.56 |
| Molecular Formula: | C21 H24 N2 O3 S2 |
| Smiles: | Cc1ccc(C)c(CN2C(N(c3cccc(c3)SC)[C@H]3CS(C[C@@H]23)(=O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.681 |
| logD: | 3.681 |
| logSw: | -3.7735 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.573 |
| InChI Key: | UGUVRMYMCZPGMZ-UHFFFAOYSA-N |