rel-(3aR,6aS)-1-[(2-methylphenyl)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-methylphenyl)methyl]-3-[3-(methylsulfanyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-[(2-methylphenyl)methyl]-3-[3-(methylsulfanyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | G012-0041 |
| Compound Name: | rel-(3aR,6aS)-1-[(2-methylphenyl)methyl]-3-[3-(methylsulfanyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 402.53 |
| Molecular Formula: | C20 H22 N2 O3 S2 |
| Smiles: | Cc1ccccc1CN1C(N(c2cccc(c2)SC)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2536 |
| logD: | 3.2536 |
| logSw: | -3.3914 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.573 |
| InChI Key: | NGCDYPVPSFXKDM-UHFFFAOYSA-N |