3-(4-chlorophenyl)-1-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
3-(4-chlorophenyl)-1-(2,3-dimethylphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 4551-0111 |
| Compound Name: | 3-(4-chlorophenyl)-1-(2,3-dimethylphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1) |
| Molecular Weight: | 453.83 |
| Molecular Formula: | C20 H22 Cl N2 O S |
| Salt: | Br- |
| Smiles: | Cc1cccc(c1C)[N+]1CC(c2ccc(cc2)[Cl])(N2CCCSC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7055 |
| logD: | 5.7055 |
| logSw: | -5.7523 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.2104 |
| InChI Key: | KBSPULRGLZKGJU-FQEVSTJZSA-N |