rel-(3aR,6aS)-1-(3-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-(3-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-(3-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | D110-0022 |
| Compound Name: | rel-(3aR,6aS)-1-(3-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 430.83 |
| Molecular Formula: | C18 H14 Cl F3 N2 O3 S |
| Smiles: | C1[C@@H]2[C@H](CS1(=O)=O)N(C(N2c1cccc(c1)C(F)(F)F)=O)c1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3576 |
| logD: | 3.3576 |
| logSw: | -3.729 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.962 |
| InChI Key: | PNTDTKMOCWCINB-UHFFFAOYSA-N |