rel-(3aR,6aS)-1-(4-ethoxyphenyl)-3-(3-nitrophenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-(4-ethoxyphenyl)-3-(3-nitrophenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-(4-ethoxyphenyl)-3-(3-nitrophenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | D110-0158 |
| Compound Name: | rel-(3aR,6aS)-1-(4-ethoxyphenyl)-3-(3-nitrophenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 417.44 |
| Molecular Formula: | C19 H19 N3 O6 S |
| Smiles: | CCOc1ccc(cc1)N1C(N(c2cccc(c2)[N+]([O-])=O)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0906 |
| logD: | 2.0906 |
| logSw: | -2.8352 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.467 |
| InChI Key: | OYDNXDNYJXDNOA-UHFFFAOYSA-N |