1-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-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: | K404-0219 |
| Compound Name: | 1-(2,5-dimethoxyphenyl)-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: | 499.4 |
| Molecular Formula: | C21 H24 F N2 O4 S |
| Salt: | Br- |
| Smiles: | COc1ccc(c(c1)[N+]1CC(c2ccc(cc2F)OC)(N2CCCSC=12)O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6415 |
| logD: | 4.6415 |
| logSw: | -4.4181 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.928 |
| InChI Key: | SNXZWCPMJJQPDJ-NRFANRHFSA-N |