rel-(3aR,6aR)-2-imino-3-(2-phenylethyl)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-(2-phenylethyl)hexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1)
rel-(3aR,6aR)-2-imino-3-(2-phenylethyl)hexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | D128-0107 |
| Compound Name: | rel-(3aR,6aR)-2-imino-3-(2-phenylethyl)hexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1) |
| Molecular Weight: | 377.32 |
| Molecular Formula: | C13 H16 N2 O2 S2 |
| Salt: | HBr |
| Smiles: | C(CN1C(=N)S[C@H]2CS(C[C@@H]12)(=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4835 |
| logD: | 1.4425 |
| logSw: | -2.151 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.157 |
| InChI Key: | SGQUNMIYQVOSKO-NEPJUHHUSA-N |