rel-(3aR,6aS)-1-(3,5-dimethylphenyl)-3-[(3-nitrophenyl)methyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-(3,5-dimethylphenyl)-3-[(3-nitrophenyl)methyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-(3,5-dimethylphenyl)-3-[(3-nitrophenyl)methyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | C200-4645 |
| Compound Name: | rel-(3aR,6aS)-1-(3,5-dimethylphenyl)-3-[(3-nitrophenyl)methyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C20 H21 N3 O5 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(N(Cc2cccc(c2)[N+]([O-])=O)[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7939 |
| logD: | 2.7939 |
| logSw: | -3.2815 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.955 |
| InChI Key: | KZDKFWHEEZXGDZ-UHFFFAOYSA-N |