rel-(3aR,6aR)-3-[4-chloro-2-(piperidin-1-yl)phenyl]-2-iminohexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1)
Chemical Structure Depiction of
rel-(3aR,6aR)-3-[4-chloro-2-(piperidin-1-yl)phenyl]-2-iminohexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1)
rel-(3aR,6aR)-3-[4-chloro-2-(piperidin-1-yl)phenyl]-2-iminohexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | D128-0050 |
| Compound Name: | rel-(3aR,6aR)-3-[4-chloro-2-(piperidin-1-yl)phenyl]-2-iminohexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1) |
| Molecular Weight: | 466.84 |
| Molecular Formula: | C16 H20 Cl N3 O2 S2 |
| Salt: | HBr |
| Smiles: | C1CCN(CC1)c1cc(ccc1N1C(=N)S[C@H]2CS(C[C@@H]12)(=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6913 |
| logD: | 2.5924 |
| logSw: | -3.5554 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.418 |
| InChI Key: | XYSHSTPVDJZHIW-CABCVRRESA-N |