3-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
3-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0306 |
| Compound Name: | 3-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1) |
| Molecular Weight: | 469.83 |
| Molecular Formula: | C20 H22 Cl N2 O2 S |
| Salt: | Br- |
| Smiles: | CCOc1ccc(cc1)[N+]1CC(c2ccc(cc2)[Cl])(N2CCCSC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2053 |
| logD: | 5.2053 |
| logSw: | -5.5617 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.6349 |
| InChI Key: | RUMUBFWTEUGKIO-FQEVSTJZSA-N |