1-(4-ethoxyphenyl)-3-(2-fluoro-4-methoxyphenyl)-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-(4-ethoxyphenyl)-3-(2-fluoro-4-methoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
1-(4-ethoxyphenyl)-3-(2-fluoro-4-methoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0312 |
| Compound Name: | 1-(4-ethoxyphenyl)-3-(2-fluoro-4-methoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1) |
| Molecular Weight: | 483.4 |
| Molecular Formula: | C21 H24 F N2 O3 S |
| Salt: | Br- |
| Smiles: | CCOc1ccc(cc1)[N+]1CC(c2ccc(cc2F)OC)(N2CCCSC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9203 |
| logD: | 4.9203 |
| logSw: | -4.4661 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.179 |
| InChI Key: | YWGBHPUTEGBGFF-NRFANRHFSA-N |