1-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
1-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0151 |
| Compound Name: | 1-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1) |
| Molecular Weight: | 463.44 |
| Molecular Formula: | C22 H27 N2 O2 S |
| Salt: | Br- |
| Smiles: | CCOc1ccc(cc1)C1(C[N+](=C2N1CCCS2)c1cccc(C)c1C)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4797 |
| logD: | 5.4797 |
| logSw: | -5.1398 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.334 |
| InChI Key: | MGACWSMWVPIEBW-QFIPXVFZSA-N |