rel-(3aR,6aR)-3-(3-chloro-4-fluorophenyl)-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-(3-chloro-4-fluorophenyl)-2-iminohexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1)
rel-(3aR,6aR)-3-(3-chloro-4-fluorophenyl)-2-iminohexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | D128-0278 |
| Compound Name: | rel-(3aR,6aR)-3-(3-chloro-4-fluorophenyl)-2-iminohexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1) |
| Molecular Weight: | 401.7 |
| Molecular Formula: | C11 H10 Cl F N2 O2 S2 |
| Salt: | HBr |
| Smiles: | C1[C@@H]2[C@H](CS1(=O)=O)SC(=N)N2c1ccc(c(c1)[Cl])F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5987 |
| logD: | 1.5976 |
| logSw: | -2.7595 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.567 |
| InChI Key: | GURAPXCBWUNYJF-ZJUUUORDSA-N |