1-(2,5-dimethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-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-dimethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
1-(2,5-dimethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0176 |
| Compound Name: | 1-(2,5-dimethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1) |
| Molecular Weight: | 449.41 |
| Molecular Formula: | C21 H25 N2 O2 S |
| Salt: | Br- |
| Smiles: | Cc1ccc(C)c(c1)[N+]1CC(c2ccc(cc2)OC)(N2CCCSC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.157 |
| logD: | 5.157 |
| logSw: | -4.8036 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.7542 |
| InChI Key: | RKWPMRBXXBSFPZ-NRFANRHFSA-N |