rel-(3aR,6aR)-3-(2-bromo-4,5-diethoxyphenyl)-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-(2-bromo-4,5-diethoxyphenyl)-2-iminohexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1)
rel-(3aR,6aR)-3-(2-bromo-4,5-diethoxyphenyl)-2-iminohexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | D128-0079 |
| Compound Name: | rel-(3aR,6aR)-3-(2-bromo-4,5-diethoxyphenyl)-2-iminohexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1) |
| Molecular Weight: | 516.27 |
| Molecular Formula: | C15 H19 Br N2 O4 S2 |
| Salt: | HBr |
| Smiles: | CCOc1cc(c(cc1OCC)[Br])N1C(=N)S[C@H]2CS(C[C@@H]12)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7121 |
| logD: | 1.7114 |
| logSw: | -2.2228 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.687 |
| InChI Key: | IENSPAPYFICTAY-RISCZKNCSA-N |