3-(4-bromophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-(4-bromophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
3-(4-bromophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K843-0073 |
| Compound Name: | 3-(4-bromophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1) |
| Molecular Weight: | 500.25 |
| Molecular Formula: | C19 H20 Br N2 O2 S |
| Salt: | Br- |
| Smiles: | COc1ccc(cc1)[N+]1CC(c2ccc(cc2)[Br])(N2CCCSC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0579 |
| logD: | 5.0579 |
| logSw: | -4.3859 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.0551 |
| InChI Key: | RPHBRNMVYRRLOM-IBGZPJMESA-N |