rel-(3aR,6aR)-2-imino-3-[3-(trifluoromethyl)phenyl]hexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1)
Chemical Structure Depiction of
rel-(3aR,6aR)-2-imino-3-[3-(trifluoromethyl)phenyl]hexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1)
rel-(3aR,6aR)-2-imino-3-[3-(trifluoromethyl)phenyl]hexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | D128-0154 |
| Compound Name: | rel-(3aR,6aR)-2-imino-3-[3-(trifluoromethyl)phenyl]hexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1) |
| Molecular Weight: | 417.26 |
| Molecular Formula: | C12 H11 F3 N2 O2 S2 |
| Salt: | HBr |
| Smiles: | C1[C@@H]2[C@H](CS1(=O)=O)SC(=N)N2c1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8604 |
| logD: | 1.8514 |
| logSw: | -2.4034 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.567 |
| InChI Key: | ASEBKECJZNMNSC-ZJUUUORDSA-N |