1-(4-ethylphenyl)-3-hydroxy-3-(thiophen-2-yl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-(4-ethylphenyl)-3-hydroxy-3-(thiophen-2-yl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
1-(4-ethylphenyl)-3-hydroxy-3-(thiophen-2-yl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0246 |
| Compound Name: | 1-(4-ethylphenyl)-3-hydroxy-3-(thiophen-2-yl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1) |
| Molecular Weight: | 425.41 |
| Molecular Formula: | C18 H21 N2 O S2 |
| Salt: | Br- |
| Smiles: | CCc1ccc(cc1)[N+]1CC(c2cccs2)(N2CCCSC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0092 |
| logD: | 5.0092 |
| logSw: | -4.3193 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.5297 |
| InChI Key: | NIGARXRJMKQBDE-SFHVURJKSA-N |