1-(2,3-dimethylphenyl)-3-hydroxy-3-(4-methylphenyl)-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-hydroxy-3-(4-methylphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
1-(2,3-dimethylphenyl)-3-hydroxy-3-(4-methylphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0146 |
| Compound Name: | 1-(2,3-dimethylphenyl)-3-hydroxy-3-(4-methylphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1) |
| Molecular Weight: | 433.41 |
| Molecular Formula: | C21 H25 N2 O S |
| Salt: | Br- |
| Smiles: | Cc1ccc(cc1)C1(C[N+](=C2N1CCCS2)c1cccc(C)c1C)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5341 |
| logD: | 5.5341 |
| logSw: | -5.2735 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.2104 |
| InChI Key: | WYWSUPMZUZXHEX-NRFANRHFSA-N |