rel-(3aR,6aS)-1-(4-nitrophenyl)-3-phenyltetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-(4-nitrophenyl)-3-phenyltetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-(4-nitrophenyl)-3-phenyltetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | D110-0013 |
| Compound Name: | rel-(3aR,6aS)-1-(4-nitrophenyl)-3-phenyltetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 373.39 |
| Molecular Formula: | C17 H15 N3 O5 S |
| Smiles: | C1[C@@H]2[C@H](CS1(=O)=O)N(C(N2c1ccccc1)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | RELATIVE |
| logP: | 1.6353 |
| logD: | 1.6353 |
| logSw: | -2.2676 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.343 |
| InChI Key: | WWKPIQCLFKGSEY-UHFFFAOYSA-N |