rel-(3aR,6aR)-2-imino-3-[2-(4-methoxyphenyl)ethyl]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-(4-methoxyphenyl)ethyl]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-(4-methoxyphenyl)ethyl]hexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | D128-0114 |
| Compound Name: | rel-(3aR,6aR)-2-imino-3-[2-(4-methoxyphenyl)ethyl]hexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1) |
| Molecular Weight: | 407.35 |
| Molecular Formula: | C14 H18 N2 O3 S2 |
| Salt: | HBr |
| Smiles: | COc1ccc(CCN2C(=N)S[C@H]3CS(C[C@@H]23)(=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4658 |
| logD: | 1.4249 |
| logSw: | -2.3403 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.701 |
| InChI Key: | DNEPWNBFUCYWGR-OLZOCXBDSA-N |