3-(4-tert-butylphenyl)-3-hydroxy-1-phenyl-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-(4-tert-butylphenyl)-3-hydroxy-1-phenyl-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
3-(4-tert-butylphenyl)-3-hydroxy-1-phenyl-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K843-0047 |
| Compound Name: | 3-(4-tert-butylphenyl)-3-hydroxy-1-phenyl-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1) |
| Molecular Weight: | 447.44 |
| Molecular Formula: | C22 H27 N2 O S |
| Salt: | Br- |
| Smiles: | CC(C)(C)c1ccc(cc1)C1(C[N+](=C2N1CCCS2)c1ccccc1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9146 |
| logD: | 5.9146 |
| logSw: | -5.5758 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.5113 |
| InChI Key: | SMJWXKQIYYPURB-QFIPXVFZSA-N |